In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2007 | 36 | 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) | 3.64 | 2.03 | -47.83 | 2 | 8 | 1 | 89 | 497.612 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 1.88 | -54.33 | 1 | 8 | 1 | 86 | 497.612 | 12 | ↓ |