| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 22 | Yes |
Popular Name: (2S)-1-tert-butoxy-3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]propan-2-ol (2S)-1-tert-butoxy-3-[4-[(5-chlo…
None
| 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) | 2.86 | 2.96 | -5.48 | 1 | 4 | 0 | 36 | 346.924 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 5.22 | -40.36 | 2 | 4 | 1 | 37 | 347.932 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 5.22 | -39.99 | 2 | 4 | 1 | 37 | 347.932 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
