| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 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) | 3.77 | 8.18 | -31.58 | 3 | 3 | 1 | 43 | 284.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 7.71 | -4.47 | 2 | 3 | 0 | 42 | 283.419 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 8.38 | -89.49 | 4 | 3 | 2 | 45 | 285.435 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
