| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-1-[4-[(1R)-1-methylpropyl]piperazin-1-yl]butan-2-amine (1S,2R)-1-(5-chloro-2-thienyl)-1…
| 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) | 3.47 | 7.2 | -99.58 | 4 | 3 | 2 | 35 | 331.957 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 5.07 | -1.79 | 2 | 3 | 0 | 32 | 329.941 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 5.36 | -44.5 | 3 | 3 | 1 | 34 | 330.949 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
