| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 18 | Yes |
Popular Name: 2-[(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-amino]-propionic acid 2-[(2,3-Dihydro-benzo[1,4]dioxin…
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CAS Number: 1008005-65-9
2-[(2,3-dihydro-benzo[1,4]dioxine-2-carbonyl)-amino]-propionicacid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.32 | -1.24 | -45.24 | 1 | 6 | -1 | 87 | 250.23 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
Popular Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-isopropyl-amino]acetic 2-[[(3S)-2,3-dihydro-1,4-benzodi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.19 | 7.29 | -48.48 | 0 | 6 | -1 | 79 | 278.284 | 4 | ↓ |
Popular Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-isopropyl-amino]acetic 2-[[(3R)-2,3-dihydro-1,4-benzodi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.19 | 7.21 | -44.66 | 0 | 6 | -1 | 79 | 278.284 | 4 | ↓ |
Popular Name: (2S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-methyl-amino]butanoic (2S)-2-[[(3S)-2,3-dihydro-1,4-be…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.54 | 7.27 | -49.22 | 0 | 6 | -1 | 79 | 278.284 | 4 | ↓ |
Popular Name: (2R)-2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-methyl-amino]butanoic (2R)-2-[[(3S)-2,3-dihydro-1,4-be…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.54 | 7.11 | -45.22 | 0 | 6 | -1 | 79 | 278.284 | 4 | ↓ |
Popular Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-methyl-amino]butanoic (2S)-2-[[(3R)-2,3-dihydro-1,4-be…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.54 | 7.22 | -50.71 | 0 | 6 | -1 | 79 | 278.284 | 4 | ↓ |
Popular Name: (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-methyl-amino]butanoic (2R)-2-[[(3R)-2,3-dihydro-1,4-be…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.54 | 7.08 | -49.58 | 0 | 6 | -1 | 79 | 278.284 | 4 | ↓ |
