In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 34 | 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) | 6.16 | 9.33 | -18.92 | 1 | 6 | 0 | 84 | 498.67 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.16 | 10.08 | -60.99 | 0 | 6 | -1 | 86 | 497.662 | 5 | ↓ |