| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | 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) | 1.98 | 6.38 | -35.04 | 2 | 3 | 1 | 20 | 280.461 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 4.42 | -2.92 | 1 | 3 | 0 | 19 | 279.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 5.98 | -31.21 | 2 | 3 | 1 | 20 | 280.461 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 7.33 | -88.18 | 3 | 3 | 2 | 24 | 281.469 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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