| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 20 | Yes |
Popular Name: [4-chloro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [4-chloro-2-[(2S)-2-(3-pyridyl)p…
| 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 | 7.22 | -56.1 | 3 | 3 | 1 | 44 | 288.802 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.67 | -94.15 | 4 | 3 | 2 | 45 | 289.81 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
