In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 31 | 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) | 2.66 | 11.36 | -20.94 | 1 | 8 | 0 | 98 | 449.565 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 9.83 | -52.95 | 0 | 8 | -1 | 105 | 448.557 | 7 | ↓ |