In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 34 | Yes |
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) | 4.95 | 14.44 | -41.67 | 2 | 6 | 1 | 55 | 462.593 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 12.19 | -10.43 | 1 | 6 | 0 | 53 | 461.585 | 8 | ↓ |