In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 18 | 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) | 0.50 | 4.29 | -50.06 | 1 | 8 | -1 | 108 | 249.254 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | 2.31 | -14.62 | 2 | 8 | 0 | 105 | 250.262 | 7 | ↓ |