| 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) | 1.87 | 6.7 | -36.68 | 3 | 3 | 1 | 34 | 264.368 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 4.63 | -3.65 | 2 | 3 | 0 | 32 | 263.36 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 6.21 | -34.32 | 3 | 3 | 1 | 34 | 264.368 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 8.24 | -108.9 | 4 | 3 | 2 | 35 | 265.376 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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