| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 19 | Yes |
Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-(6-methyl-3-pyridyl)methanamine N-[(3-isopropyl-1-methyl-pyrazol…
| 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) | 1.37 | 6.72 | -50.85 | 2 | 4 | 1 | 47 | 259.377 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.35 | -9.08 | 1 | 4 | 0 | 43 | 258.369 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 7.15 | -111.97 | 3 | 4 | 2 | 49 | 260.385 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
