In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 5th, 2010 | 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) | 1.92 | 7.38 | -13.14 | 1 | 7 | 0 | 73 | 418.497 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 9.74 | -51.89 | 2 | 7 | 1 | 74 | 419.505 | 3 | ↓ |