In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2010 | 19 | Yes |
Popular Name: 1-(4-isobutylpiperazine-1-carbonyl)cyclopentanecarbonitrile 1-(4-isobutylpiperazine-1-carbon…
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) | 1.94 | 5.94 | -6.44 | 0 | 4 | 0 | 47 | 263.385 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 7.86 | -41.57 | 1 | 4 | 1 | 49 | 264.393 | 3 | ↓ |