In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 31 | No |
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) | 1.69 | 8.29 | -22.78 | 2 | 11 | 0 | 148 | 465.492 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 7.07 | -40.17 | 1 | 11 | -1 | 154 | 464.484 | 8 | ↓ |