In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2008 | 31 | No |
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) | 2.62 | 6.6 | -11.62 | 2 | 9 | 0 | 124 | 420.425 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 7.76 | -41.76 | 3 | 9 | 1 | 129 | 421.433 | 3 | ↓ |