In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 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) | 3.51 | 11.96 | -80.15 | 1 | 8 | 0 | 93 | 496.604 | 13 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 1.59 | -49.92 | 1 | 8 | 1 | 86 | 497.612 | 13 | ↓ |