| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (2S)-2-(4-isobutylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine (2S)-2-(4-isobutylpiperazin-1-yl…
| 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) | 0.12 | 3.68 | -99.13 | 4 | 5 | 2 | 53 | 267.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 3.46 | -36.64 | 3 | 5 | 1 | 52 | 266.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 1.8 | -47.18 | 3 | 5 | 1 | 52 | 266.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 1.73 | -5.8 | 2 | 5 | 0 | 50 | 265.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
