| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | 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) | 0.66 | 4.73 | -97.83 | 4 | 4 | 2 | 48 | 251.374 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 4.54 | -33.5 | 3 | 4 | 1 | 47 | 250.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 4.93 | -113.22 | 4 | 4 | 2 | 48 | 251.374 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 6.47 | -207.85 | 5 | 4 | 3 | 50 | 252.382 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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