In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 24 | 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) | -0.05 | 2.62 | -61.22 | 5 | 7 | 1 | 99 | 328.396 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.05 | 1.38 | -13.57 | 4 | 7 | 0 | 94 | 327.388 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.05 | 2.77 | -116.41 | 6 | 7 | 2 | 100 | 329.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.