In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 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) | 3.94 | 11.16 | -57.74 | 0 | 8 | -1 | 97 | 496.58 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 0.89 | -23.36 | 0 | 8 | 0 | 91 | 497.588 | 12 | ↓ |