| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | 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) | 1.23 | 6.43 | -47.78 | 3 | 3 | 1 | 45 | 202.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 6.15 | -8.35 | 2 | 3 | 0 | 44 | 201.273 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 6.91 | -102.42 | 4 | 3 | 2 | 47 | 203.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
