In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 0.36 | 7.6 | -71.68 | 3 | 9 | 1 | 115 | 489.6 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.36 | 8.15 | -119.25 | 4 | 9 | 2 | 116 | 490.608 | 5 | ↓ |