| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 20 | Yes |
Popular Name: 5-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazole-4-sulfonamide 5-amino-3-methyl-N-(4,5,6,7-tetr…
| 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) | 1.88 | 4.64 | -37.7 | 4 | 7 | 1 | 107 | 314.416 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 3.61 | -50.54 | 2 | 7 | -1 | 105 | 312.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 4.11 | -50.97 | 3 | 7 | 0 | 106 | 313.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 3.82 | -35.26 | 4 | 7 | 1 | 108 | 314.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 3.29 | -39.92 | 3 | 7 | 0 | 107 | 313.408 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 4.14 | -14.72 | 3 | 7 | 0 | 106 | 313.408 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
