In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 17th, 2009 | 21 | 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) | 2.85 | 4.3 | -110.88 | 0 | 5 | -2 | 88 | 311.265 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 4.23 | -58.17 | 1 | 5 | -1 | 86 | 312.273 | 4 | ↓ |