| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | No |
Popular Name: (2S)-2-[4-[(1-isopropylpyrazol-3-yl)methyl]piperazin-1-yl]butanethioamide (2S)-2-[4-[(1-isopropylpyrazol-3…
| 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) | 0.84 | 3.39 | -13.52 | 2 | 5 | 0 | 50 | 309.483 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 5.67 | -38.14 | 3 | 5 | 1 | 52 | 310.491 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
