In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 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) | 4.01 | 9.75 | -56.39 | 0 | 7 | -1 | 82 | 497.999 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 12.08 | -74.38 | 1 | 7 | 0 | 83 | 499.007 | 9 | ↓ |