In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 30 | 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) | 5.09 | 8.11 | -42.48 | 1 | 6 | -1 | 87 | 489.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.63 | 9.22 | -14.5 | 2 | 6 | 0 | 84 | 490.354 | 5 | ↓ |