In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 22 | 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) | 1.18 | 5.84 | -13.02 | 0 | 5 | 0 | 63 | 298.342 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 8.01 | -61.93 | 1 | 5 | 1 | 64 | 299.35 | 2 | ↓ |