| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: [4-(aminomethyl)phenyl]-[(2S)-2-cyclohexylpyrrolidin-1-yl]methanone [4-(aminomethyl)phenyl]-[(2S)-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) | 2.77 | 7.13 | -53.9 | 3 | 3 | 1 | 48 | 287.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.72 | -8.02 | 2 | 3 | 0 | 46 | 286.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
