| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 17 | Yes |
Popular Name: 1-[(1S,2R)-2-(aminomethyl)cyclopentyl]-N-methyl-piperidine-4-carboxamide 1-[(1S,2R)-2-(aminomethyl)cyclop…
| 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) | 0.29 | 3.25 | -120.11 | 5 | 4 | 2 | 61 | 241.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | 2.88 | -41.69 | 4 | 4 | 1 | 60 | 240.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | 0.74 | -48.16 | 4 | 4 | 1 | 60 | 240.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
