In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 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) | 4.56 | 10.75 | -26.65 | 1 | 6 | 0 | 73 | 445.52 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.56 | 11.04 | -47.63 | 2 | 6 | 1 | 74 | 446.528 | 6 | ↓ |