| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 36 | No |
| 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) | 3.81 | 13.7 | -36.13 | 2 | 8 | 1 | 85 | 485.612 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 13.47 | -42.87 | 0 | 8 | -1 | 86 | 483.596 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 13.27 | -35.96 | 1 | 8 | 0 | 87 | 484.604 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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