| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | No |
Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]-1,1-dioxo-thian-4-amine N-[(4-methyl-1H-imidazol-5-yl)me…
| 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) | -0.26 | 1.76 | -55.48 | 3 | 5 | 1 | 79 | 244.34 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.26 | 0.56 | -15.95 | 2 | 5 | 0 | 75 | 243.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 1.01 | -45.51 | 3 | 5 | 1 | 76 | 244.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 2.2 | -127.59 | 4 | 5 | 2 | 81 | 245.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
