In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 35 | No |
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) | 1.78 | 6.49 | -22.95 | 3 | 9 | 0 | 122 | 514.608 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | 7.63 | -44.25 | 4 | 9 | 1 | 123 | 515.616 | 8 | ↓ |