In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 26 | No |
None
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) | 5.07 | -2.31 | -16.39 | 2 | 6 | 0 | 90 | 476.128 | 1 | ↓ |
Hi High (pH 8-9.5) | 5.53 | 4.76 | -52.7 | 1 | 6 | -1 | 94 | 475.12 | 1 | ↓ |