In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 31 | 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) | 7.42 | 16.29 | -13.05 | 0 | 3 | 0 | 27 | 406.529 | 7 | ↓ |
Mid Mid (pH 6-8) | 7.42 | 16.81 | -28.27 | 1 | 3 | 1 | 28 | 407.537 | 7 | ↓ |