| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 23 | No |
Popular Name: (3R)-N-(cyanomethyl)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (3R)-N-(cyanomethyl)-N-cycloprop…
| 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) | 2.15 | 10.19 | -47.26 | 1 | 4 | 1 | 49 | 316.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 7.97 | -11.27 | 0 | 4 | 0 | 47 | 315.392 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
