| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 16 | No |
Popular Name: N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxo-thian-4-amine N-[(1-methylimidazol-2-yl)methyl…
| 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) | -0.55 | 1.3 | -43.56 | 2 | 5 | 1 | 65 | 244.34 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | 0.85 | -18.4 | 1 | 5 | 0 | 64 | 243.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | 2.5 | -132.99 | 3 | 5 | 2 | 70 | 245.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | 2.04 | -63.14 | 2 | 5 | 1 | 69 | 244.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
