| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 19 | Yes |
Popular Name: (5-amino-3-methyl-1H-pyrazol-4-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (5-amino-3-methyl-1H-pyrazol-4-y…
| 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) | 0.14 | 2.26 | -8.65 | 3 | 6 | 0 | 78 | 265.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 4.12 | -42.12 | 4 | 6 | 1 | 79 | 266.369 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.14 | 4.24 | -88.72 | 5 | 6 | 2 | 81 | 267.377 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
