| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 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) | 3.15 | 7.5 | -38.81 | 2 | 4 | 1 | 42 | 310.487 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 6.17 | -5.12 | 1 | 4 | 0 | 37 | 309.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 7.83 | -90.57 | 3 | 4 | 2 | 43 | 311.495 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
