| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 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) | 2.29 | 6.76 | -28.05 | 3 | 4 | 1 | 47 | 283.399 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 8.97 | -90.89 | 4 | 4 | 2 | 48 | 284.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 8.51 | -36.77 | 3 | 4 | 1 | 47 | 283.399 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 6.29 | -5.67 | 2 | 4 | 0 | 45 | 282.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
