| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | 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) | 3.16 | 8.89 | -113.47 | 3 | 2 | 2 | 21 | 238.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 8.99 | -34.06 | 2 | 2 | 1 | 20 | 237.411 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.97 | -27.85 | 2 | 2 | 1 | 16 | 237.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
