| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 20 | No |
Popular Name: 3-(2-Guanidinothiazol-4-Ylmethylthio)-N1-Sulfamoylpropionamide 3-(2-Guanidinothiazol-4-Ylmethyl…
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CAS Numbers: 106433-44-7 , 76824-35-6
| 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) | -1.02 | -2.88 | -51.23 | 6 | 9 | -1 | 170 | 337.432 | 8 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | -2.39 | -125.34 | 5 | 9 | -2 | 168 | 336.424 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | -3.12 | -51.34 | 6 | 9 | -1 | 170 | 337.432 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | -2.68 | -50.51 | 6 | 9 | -1 | 173 | 337.432 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | -3.18 | -70.21 | 7 | 9 | 0 | 172 | 338.44 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -1.20 | -1.32 | -48.14 | 8 | 9 | 1 | 166 | 339.448 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.