| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 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) | 3.24 | 5.31 | -38.63 | 3 | 3 | 1 | 40 | 330.279 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 4.07 | -3.4 | 2 | 3 | 0 | 35 | 329.271 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.33 | -31.11 | 3 | 3 | 1 | 37 | 330.279 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
