In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 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) | 2.78 | 7.63 | -47.1 | 3 | 9 | 1 | 98 | 471.578 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 7.98 | -107.08 | 4 | 9 | 2 | 99 | 472.586 | 8 | ↓ |