In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 17 | 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) | -2.03 | 4 | -110.75 | 2 | 7 | -2 | 121 | 242.231 | 6 | ↓ |
Lo Low (pH 4.5-6) | -2.03 | 2.03 | -56.84 | 3 | 7 | -1 | 119 | 243.239 | 6 | ↓ |