| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: [1,3-dimethyl-5-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazol-4-yl]methanol [1,3-dimethyl-5-[4-[(1S)-1-methy…
| 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) | 1.20 | 5.11 | -41.77 | 2 | 5 | 1 | 46 | 267.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 3.32 | -6.36 | 1 | 5 | 0 | 45 | 266.389 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 5.25 | -83 | 3 | 5 | 2 | 47 | 268.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
