| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | 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) | 1.70 | 8.42 | -184.55 | 5 | 4 | 3 | 49 | 289.447 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 5.59 | -46.31 | 3 | 4 | 1 | 47 | 287.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 6 | -96.67 | 4 | 4 | 2 | 48 | 288.439 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 8.01 | -106.99 | 4 | 4 | 2 | 48 | 288.439 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
