In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 15 | Yes |
Popular Name: [(3R)-1-[(1S)-1-(5-chloro-2-thienyl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-1-(5-chloro-2-thie…
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) | 2.31 | 3.43 | -46.4 | 3 | 2 | 1 | 31 | 245.799 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 5.94 | -107.65 | 4 | 2 | 2 | 32 | 246.807 | 3 | ↓ |