In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 21 | Yes |
Popular Name: 3-[(1S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1,3-benzoxazol-2-one 3-[(1S)-1-methyl-2-(4-methylpipe…
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) | 0.85 | 5.6 | -20.82 | 0 | 6 | 0 | 59 | 289.335 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 7.95 | -60.04 | 1 | 6 | 1 | 60 | 290.343 | 2 | ↓ |
Popular Name: (2S)-N-isopropyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (2S)-N-isopropyl-2-(2-oxo-1,3-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) | 1.39 | 5.84 | -20.24 | 1 | 5 | 0 | 64 | 248.282 | 3 | ↓ |
Popular Name: (2R)-N-isopropyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (2R)-N-isopropyl-2-(2-oxo-1,3-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) | 1.39 | 5.83 | -20.49 | 1 | 5 | 0 | 64 | 248.282 | 3 | ↓ |
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) | 1.04 | 8.42 | -23.46 | 0 | 7 | 0 | 76 | 343.383 | 3 | ↓ |
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) | 1.04 | 8.5 | -29.55 | 0 | 7 | 0 | 76 | 343.383 | 3 | ↓ |
Popular Name: 3-[2-(4-acetylpiperazino)-2-keto-ethyl]-1,3-benzoxazol-2-one 3-[2-(4-acetylpiperazino)-2-keto…
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) | -0.15 | 6.12 | -21.91 | 0 | 7 | 0 | 76 | 303.318 | 2 | ↓ |
Popular Name: (2S)-N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (2S)-N,N-dimethyl-2-(2-oxo-1,3-b…
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) | 0.52 | 6.04 | -21.41 | 0 | 5 | 0 | 55 | 234.255 | 2 | ↓ |
Popular Name: (2R)-N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (2R)-N,N-dimethyl-2-(2-oxo-1,3-b…
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) | 0.52 | 6.14 | -21.78 | 0 | 5 | 0 | 55 | 234.255 | 2 | ↓ |