In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 22 | Yes |
Popular Name: 4-[[1-(2-cyanoethyl)piperidine-4-carbonyl]amino]benzoic 4-[[1-(2-cyanoethyl)piperidine-4…
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) | 1.29 | 8.28 | -98.18 | 2 | 6 | 0 | 97 | 301.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 6.02 | -58.45 | 1 | 6 | -1 | 96 | 300.338 | 5 | ↓ |