In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 30 | 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) | 3.74 | 8.84 | -201.72 | 0 | 9 | -3 | 146 | 420.382 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 9.25 | -124.03 | 1 | 9 | -2 | 144 | 421.39 | 4 | ↓ |