| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 22 | Yes |
Popular Name: 1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone 1-[4-[(2S)-2-hydroxy-3,3-dimethy…
| 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) | 1.06 | 3.16 | -16.16 | 1 | 6 | 0 | 62 | 308.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 5.44 | -55.4 | 2 | 6 | 1 | 63 | 309.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
