| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 19 | No |
Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-nitrophenyl)methyl]methanamine 1-(3,5-dimethyl-1H-pyrazol-4-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) | 1.58 | 5.1 | -12.74 | 2 | 6 | 0 | 87 | 260.297 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.47 | -60.73 | 3 | 6 | 1 | 91 | 261.305 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
