In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 39 | 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) | 4.13 | 0.48 | -61.37 | 2 | 8 | 1 | 89 | 533.576 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 0.32 | -70.39 | 1 | 8 | 1 | 86 | 533.576 | 9 | ↓ |