In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 33 | 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) | 3.61 | 9.58 | -51.41 | 2 | 7 | 1 | 81 | 494.395 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 10.27 | -60.12 | 1 | 7 | 1 | 77 | 494.395 | 9 | ↓ |