In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 37 | 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) | 4.97 | 14.58 | -17.65 | 0 | 9 | 0 | 100 | 520.659 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.97 | 16.8 | -55.18 | 1 | 9 | 1 | 101 | 521.667 | 8 | ↓ |