| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: 2-[5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonyl-2-thienyl]ethanamine 2-[5-[4-[(1R)-1-methylpropyl]pip…
| 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) | 1.52 | 4.04 | -97.3 | 4 | 5 | 2 | 69 | 333.523 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 2.18 | -55.68 | 3 | 5 | 1 | 68 | 332.515 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
