| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | No |
Popular Name: 1-(3-isopropyl-1-methyl-pyrazol-4-yl)-N-[(3-nitrophenyl)methyl]methanamine 1-(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) | 2.48 | 7.24 | -12.16 | 1 | 6 | 0 | 76 | 288.351 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 8.61 | -61.23 | 2 | 6 | 1 | 80 | 289.359 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
