In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 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) | 4.35 | 0.15 | -13.52 | 0 | 6 | 0 | 76 | 425.469 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.35 | 0.33 | -30.8 | 1 | 6 | 1 | 77 | 426.477 | 2 | ↓ |