In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 32 | 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) | 3.07 | 8.55 | -13.3 | 3 | 8 | 0 | 94 | 432.528 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 10.48 | -89.18 | 5 | 8 | 2 | 96 | 434.544 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 10.84 | -46.36 | 4 | 8 | 1 | 95 | 433.536 | 7 | ↓ |