In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 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) | 2.62 | -0.35 | -61.69 | 2 | 7 | 1 | 77 | 433.58 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | -0.23 | -104.94 | 3 | 7 | 2 | 78 | 434.588 | 8 | ↓ |