| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 19 | Yes |
Popular Name: 1-[(1R,2S)-2-(aminomethyl)cycloheptyl]-N-methyl-piperidine-4-carboxamide 1-[(1R,2S)-2-(aminomethyl)cycloh…
| 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) | 1.30 | 4.02 | -123.34 | 5 | 4 | 2 | 61 | 269.433 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 2.73 | -50.3 | 4 | 4 | 1 | 60 | 268.425 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
