In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 31 | 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) | 7.98 | 15.86 | -10.19 | 0 | 3 | 0 | 34 | 430.548 | 5 | ↓ |
Lo Low (pH 4.5-6) | 7.98 | 14.94 | -27.83 | 1 | 3 | 1 | 36 | 431.556 | 5 | ↓ |
Lo Low (pH 4.5-6) | 7.98 | 16.07 | -25.71 | 1 | 3 | 1 | 36 | 431.556 | 5 | ↓ |