In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 16 | Yes |
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) | 0.64 | 3.61 | -55.9 | 2 | 4 | 0 | 60 | 240.328 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 3.03 | -48.15 | 1 | 4 | -1 | 55 | 239.32 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.64 | 6.29 | -85.92 | 3 | 4 | 1 | 61 | 241.336 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.64 | 5.08 | -27.79 | 2 | 4 | 0 | 57 | 240.328 | 3 | ↓ |