In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 29 | 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) | 4.11 | 8.52 | -52.1 | 3 | 6 | 1 | 80 | 416.567 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.56 | 6.05 | -41.8 | 2 | 6 | 0 | 83 | 415.559 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 6.33 | -12.71 | 2 | 6 | 0 | 78 | 415.559 | 10 | ↓ |