In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 39 | 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) | 3.45 | -3.96 | -26.13 | 1 | 8 | 0 | 85 | 525.653 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | -3.83 | -48.95 | 2 | 8 | 1 | 87 | 526.661 | 8 | ↓ |