In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 1.96 | 8.65 | -51.58 | 3 | 8 | 1 | 91 | 528.677 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 10.91 | -108.45 | 4 | 8 | 2 | 93 | 529.685 | 6 | ↓ |