| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 22 | Yes |
Popular Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-N-(5-isoquinolylmethyl)-N-methyl-methanamine 1-(5-chloro-1,3-dimethyl-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) | 2.60 | 8.9 | -44.49 | 1 | 4 | 1 | 35 | 315.828 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 6.62 | -8.68 | 0 | 4 | 0 | 34 | 314.82 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 9.37 | -97.03 | 2 | 4 | 2 | 36 | 316.836 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
