| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-1-(5-chloro-2-thienyl)-1-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]propan-2-amine (1R,2S)-1-(5-chloro-2-thienyl)-1…
| 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) | 2.58 | 6.16 | -46.01 | 3 | 3 | 1 | 44 | 322.885 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 7.89 | -31.02 | 3 | 3 | 1 | 43 | 322.885 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 5.96 | -4.95 | 2 | 3 | 0 | 42 | 321.877 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 6.55 | -111.29 | 4 | 3 | 2 | 45 | 323.893 | 4 | ↓ |
