In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 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) | 4.24 | 9.3 | -10.41 | 0 | 6 | 0 | 45 | 433.531 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.24 | 9.6 | -40.15 | 1 | 6 | 1 | 46 | 434.539 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.24 | 11.64 | -56.25 | 1 | 6 | 1 | 46 | 434.539 | 5 | ↓ |