In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 26 | 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) | 4.22 | 12.34 | -9.88 | 2 | 8 | 0 | 84 | 378.864 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.22 | 12.75 | -23.66 | 3 | 8 | 1 | 86 | 379.872 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.22 | 12.75 | -25.23 | 3 | 8 | 1 | 86 | 379.872 | 8 | ↓ |