| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 26 | 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) | 3.62 | 4.94 | -32.45 | 4 | 5 | 1 | 80 | 345.378 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 5.35 | -43.9 | 2 | 5 | -1 | 81 | 343.362 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 4.59 | -12.12 | 3 | 5 | 0 | 79 | 344.37 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
