| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: [5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonyl-2-thienyl]methanamine [5-[4-[(1R)-1-methylpropyl]piper…
| 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) | 1.72 | 3.25 | -102.35 | 4 | 5 | 2 | 69 | 319.496 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 0.98 | -7.97 | 2 | 5 | 0 | 67 | 317.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 1.36 | -55.3 | 3 | 5 | 1 | 68 | 318.488 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
