| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 19 | Yes |
Popular Name: 4-hydroxy-3-[(1R)-1-[2-(2-thienyl)ethylamino]ethyl]benzonitrile 4-hydroxy-3-[(1R)-1-[2-(2-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) | 3.43 | 7.35 | -45.16 | 2 | 3 | 0 | 63 | 272.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 6.2 | -37.7 | 1 | 3 | -1 | 59 | 271.365 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 5.4 | -10.38 | 2 | 3 | 0 | 56 | 272.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 6.55 | -51.36 | 3 | 3 | 1 | 61 | 273.381 | 5 | ↓ |
