| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | 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) | 1.53 | 4.56 | -30.99 | 2 | 3 | 1 | 28 | 239.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 3 | -3.05 | 1 | 3 | 0 | 27 | 238.375 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 4.85 | -32.8 | 2 | 3 | 1 | 28 | 239.383 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 6.4 | -103.52 | 3 | 3 | 2 | 29 | 240.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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