| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: [4-(aminomethyl)phenyl]-[(2R)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]methanone [4-(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) | 1.02 | 5.06 | -62.75 | 3 | 5 | 1 | 74 | 286.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 4.66 | -16.03 | 2 | 5 | 0 | 72 | 285.347 | 3 | ↓ |
