In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 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) | 4.43 | 0.16 | -13.84 | 1 | 6 | 0 | 79 | 437.517 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 0.03 | -20.6 | 0 | 6 | 0 | 76 | 437.517 | 9 | ↓ |