| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(2R)-2-(4-pyridyl)pyrrolidin-1-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-2-[(…
| 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) | 2.12 | 5.16 | -45.4 | 3 | 3 | 1 | 44 | 308.858 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 6.13 | -35.6 | 3 | 3 | 1 | 43 | 308.858 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 4.34 | -3.96 | 2 | 3 | 0 | 42 | 307.85 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 5.62 | -106.49 | 4 | 3 | 2 | 45 | 309.866 | 4 | ↓ |
