| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2010 | 20 | 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) | 2.15 | 10.15 | -182.35 | 4 | 3 | 3 | 25 | 282.496 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 5.7 | -39.49 | 2 | 3 | 1 | 23 | 280.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 7.7 | -101.65 | 3 | 3 | 2 | 24 | 281.488 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 8.98 | -74.54 | 3 | 3 | 2 | 21 | 281.488 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
