| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(4-isobutylpiperazin-1-yl)-1-(3-thienyl)propan-2-amine (1R,2S)-1-(4-isobutylpiperazin-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) | 1.73 | 5.53 | -92.52 | 4 | 3 | 2 | 35 | 283.485 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 3.23 | -1.8 | 2 | 3 | 0 | 32 | 281.469 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 3.66 | -40.64 | 3 | 3 | 1 | 34 | 282.477 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
