| 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) | 2.05 | 8.24 | -178.83 | 5 | 4 | 3 | 49 | 291.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 5.76 | -21.35 | 3 | 4 | 1 | 47 | 289.447 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 5.68 | -49.19 | 3 | 4 | 1 | 47 | 289.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 7.81 | -100.99 | 4 | 4 | 2 | 48 | 290.455 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 6.11 | -99.1 | 4 | 4 | 2 | 48 | 290.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
