| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 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) | 1.10 | 7.16 | -47.48 | 3 | 4 | 1 | 57 | 306.455 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 6.83 | -8.32 | 2 | 4 | 0 | 55 | 305.447 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 7.56 | -96.82 | 4 | 4 | 2 | 58 | 307.463 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
