In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2004 | 28 | 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) | 3.33 | 5.6 | -11.12 | 3 | 7 | 0 | 89 | 381.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 3.71 | -38.32 | 4 | 7 | 1 | 94 | 382.44 | 6 | ↓ |