| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 20 | Yes |
Popular Name: [3-chloro-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [3-chloro-4-[(2R)-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 | 7.25 | -47.37 | 3 | 3 | 1 | 44 | 288.802 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 6.85 | -4.5 | 2 | 3 | 0 | 42 | 287.794 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.71 | -93.43 | 4 | 3 | 2 | 45 | 289.81 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
