In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 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) | 5.82 | 1.87 | -11.25 | 0 | 5 | 0 | 47 | 439.987 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 1.96 | -35.98 | 1 | 5 | 1 | 49 | 440.995 | 6 | ↓ |