In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 30 | 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) | 2.09 | 11.12 | -43.75 | 2 | 5 | 1 | 46 | 404.534 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 8.73 | -7.84 | 1 | 5 | 0 | 45 | 403.526 | 3 | ↓ |