In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 25 | Yes |
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) | 0.44 | 7.07 | -52.9 | 1 | 6 | 1 | 48 | 363.507 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 4.83 | -17.17 | 0 | 6 | 0 | 47 | 362.499 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 7.06 | -48.2 | 1 | 6 | 1 | 48 | 363.507 | 4 | ↓ |