| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | 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) | 1.30 | 11.22 | -51.23 | 2 | 5 | 1 | 41 | 282.437 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 9.62 | -49.7 | 0 | 5 | -1 | 37 | 280.421 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 11.19 | -70.57 | 1 | 5 | 0 | 38 | 281.429 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 9.67 | -10.25 | 1 | 5 | 0 | 40 | 281.429 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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