| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 34 | 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) | 3.69 | 5.05 | -51 | 3 | 7 | 1 | 88 | 479.475 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 3.17 | -42.6 | 1 | 7 | -1 | 89 | 477.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 5.51 | -30.39 | 2 | 7 | 0 | 90 | 478.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 2.72 | -12.4 | 2 | 7 | 0 | 86 | 478.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
