| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 37 | 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) | 2.74 | 8.01 | -61.79 | 2 | 8 | 1 | 82 | 499.591 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 6.65 | -14.21 | 1 | 8 | 0 | 78 | 498.583 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 8.91 | -48.07 | 2 | 8 | 1 | 79 | 499.591 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 10.28 | -134.46 | 3 | 8 | 2 | 84 | 500.599 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
