| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 36 | Yes |
None
None
| 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) | 3.28 | 4.6 | -48.09 | 3 | 8 | 1 | 97 | 509.501 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 2.9 | -42.85 | 1 | 8 | -1 | 98 | 507.485 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 2.35 | -12.51 | 2 | 8 | 0 | 96 | 508.493 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 4.68 | -45.69 | 3 | 8 | 1 | 97 | 509.501 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
