In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2008 | 35 | 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) | 2.68 | 7.51 | -61.62 | 0 | 8 | -1 | 85 | 478.569 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 9.78 | -78.01 | 1 | 8 | 0 | 87 | 479.577 | 9 | ↓ |