| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | 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) | 1.04 | 7.6 | -35.08 | 3 | 3 | 1 | 34 | 353.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 5.64 | -3.51 | 2 | 3 | 0 | 32 | 352.32 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 7.24 | -29.89 | 3 | 3 | 1 | 34 | 353.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 5.96 | -46.18 | 3 | 3 | 1 | 34 | 353.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 7.52 | -92.16 | 4 | 3 | 2 | 35 | 354.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 9.17 | -100.6 | 4 | 3 | 2 | 35 | 354.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 9.45 | -207.8 | 5 | 3 | 3 | 37 | 355.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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