In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2008 | 31 | 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) | 2.62 | 7.4 | -21.36 | 2 | 6 | 0 | 84 | 446.454 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 5.64 | -50.31 | 3 | 6 | 1 | 89 | 447.462 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 7.84 | -54.9 | 3 | 6 | 1 | 85 | 447.462 | 8 | ↓ |