In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 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) | 2.51 | 9.9 | -20.84 | 4 | 9 | 0 | 110 | 421.505 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 9.53 | -33.97 | 5 | 9 | 1 | 112 | 422.513 | 8 | ↓ |