In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 18 | 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) | 3.38 | 5.21 | -8.25 | 1 | 3 | 0 | 45 | 240.237 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.84 | 2.95 | -48.96 | 0 | 3 | -1 | 48 | 239.229 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.84 | 3.45 | -41.94 | 0 | 3 | -1 | 48 | 239.229 | 1 | ↓ |