In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 35 | 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) | 1.79 | 9.96 | -109.95 | 4 | 7 | 2 | 83 | 497.709 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 7.9 | -60.98 | 3 | 7 | 1 | 82 | 496.701 | 8 | ↓ |