In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 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) | 2.76 | -4.35 | -11.58 | 1 | 9 | 0 | 101 | 443.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.76 | -4.1 | -40.08 | 2 | 9 | 1 | 102 | 444.585 | 6 | ↓ |