In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 35 | 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) | 4.82 | 9.88 | -13.77 | 2 | 7 | 0 | 88 | 489.959 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.82 | 10.64 | -50.34 | 1 | 7 | -1 | 91 | 488.951 | 6 | ↓ |