In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 36 | 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) | 4.56 | 9.58 | -16.54 | 2 | 8 | 0 | 97 | 493.604 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.33 | 10.13 | -47.07 | 0 | 8 | -1 | 96 | 492.596 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.33 | 9.83 | -58.31 | 0 | 8 | -1 | 96 | 492.596 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.56 | 10.67 | -41.54 | 1 | 8 | -1 | 100 | 492.596 | 10 | ↓ |