| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 33 | 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) | 1.74 | 6.54 | -63.64 | 1 | 7 | 1 | 85 | 495.687 | 12 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.57 | -20.64 | 0 | 7 | 0 | 84 | 494.679 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 8.95 | -131.34 | 2 | 7 | 2 | 86 | 496.695 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 7 | -54.53 | 1 | 7 | 1 | 85 | 495.687 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
