| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2009 | 27 | No |
Popular Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carboximidothioic 4-(1,3-benzodioxol-5-ylmethyl)-N…
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| 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) | 3.46 | 7.29 | -49.4 | 0 | 6 | -1 | 47 | 384.481 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | 7.25 | -13.88 | 1 | 6 | 0 | 46 | 385.489 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 9.51 | -60.44 | 1 | 6 | 0 | 48 | 385.489 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.76 | 9.47 | -57.81 | 2 | 6 | 1 | 47 | 386.497 | 5 | ↓ |
