In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: (2S)-N-(2-cyanoethyl)-N-(2-furylmethyl)piperidine-2-carboxamide (2S)-N-(2-cyanoethyl)-N-(2-furyl…
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) | 0.46 | 6.12 | -47.47 | 2 | 5 | 1 | 74 | 262.333 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.46 | 4.89 | -13.03 | 1 | 5 | 0 | 69 | 261.325 | 5 | ↓ |