In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 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) | 2.64 | 10.84 | -24.96 | 1 | 7 | 0 | 80 | 439.516 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 9.6 | -43.4 | 2 | 7 | 1 | 85 | 440.524 | 7 | ↓ |