| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: [5-(4-isobutylpiperazin-1-yl)sulfonyl-2-thienyl]methanamine [5-(4-isobutylpiperazin-1-yl)sul…
| 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) | 1.64 | 3.59 | -104.73 | 4 | 5 | 2 | 69 | 319.496 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 1.26 | -8.02 | 2 | 5 | 0 | 67 | 317.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 1.67 | -55.29 | 3 | 5 | 1 | 68 | 318.488 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
