In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 17 | Yes |
Popular Name: [3-(aminomethyl)phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone [3-(aminomethyl)phenyl]-[(2R)-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) | -0.18 | 1.11 | -49.36 | 4 | 4 | 1 | 68 | 235.307 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.18 | 0.71 | -9.51 | 3 | 4 | 0 | 67 | 234.299 | 3 | ↓ |