In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 37 | 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) | 4.94 | 10.5 | -16.44 | 2 | 8 | 0 | 97 | 507.631 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.71 | 11.05 | -47.13 | 0 | 8 | -1 | 96 | 506.623 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.71 | 10.75 | -58.6 | 0 | 8 | -1 | 96 | 506.623 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 11.59 | -41.82 | 1 | 8 | -1 | 100 | 506.623 | 11 | ↓ |