In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 17th, 2007 | 38 | 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) | 4.57 | 12.89 | -74.66 | 1 | 8 | 0 | 93 | 524.658 | 14 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 2.22 | -49.6 | 1 | 8 | 1 | 86 | 525.666 | 14 | ↓ |