| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 23 | Yes |
Popular Name: 1-(1-allyl-3-methyl-pyrazol-4-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine 1-(1-allyl-3-methyl-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) | 1.92 | 7.95 | -52.99 | 2 | 5 | 1 | 53 | 314.409 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 6.59 | -10.76 | 1 | 5 | 0 | 48 | 313.401 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
