In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2008 | 35 | 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) | 3.77 | 13.04 | -39.9 | 1 | 6 | 1 | 48 | 479.689 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 10.84 | -11.55 | 0 | 6 | 0 | 47 | 478.681 | 5 | ↓ |