| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 15 | Yes |
Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-ethoxy-ethanamine N-[(1R)-1-(2,5-dimethyl-3-thieny…
| 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) | 2.45 | 6.53 | -35.85 | 2 | 2 | 1 | 26 | 228.381 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 5.4 | -3.24 | 1 | 2 | 0 | 21 | 227.373 | 6 | ↓ |
Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-(2-methoxyethyl)ethanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…
| 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) | 2.07 | 5.72 | -36.43 | 2 | 2 | 1 | 26 | 214.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.35 | -4.02 | 1 | 2 | 0 | 21 | 213.346 | 5 | ↓ |
Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-(2-methoxyethyl)ethanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…
| 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) | 2.07 | 5.75 | -37.02 | 2 | 2 | 1 | 26 | 214.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.5 | -4.76 | 1 | 2 | 0 | 21 | 213.346 | 5 | ↓ |
