In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 32 | Yes |
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) | 2.99 | 6.11 | -47.41 | 2 | 8 | 1 | 85 | 454.576 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 3.87 | -14.05 | 1 | 8 | 0 | 84 | 453.568 | 9 | ↓ |