| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: 3-(aminomethyl)-1-[(1S,3R)-3-methoxycyclohexyl]quinolin-2-one 3-(aminomethyl)-1-[(1S,3R)-3-met…
| 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) | 1.92 | 5.66 | -44.16 | 3 | 4 | 1 | 59 | 287.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 5.27 | -10.41 | 2 | 4 | 0 | 57 | 286.375 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
