| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 14 | Yes |
Popular Name: N-(1H-imidazol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine N-(1H-imidazol-5-ylmethyl)-3,5-d…
| 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) | 0.17 | 2.59 | -40.06 | 4 | 5 | 1 | 71 | 192.246 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 2.12 | -10.22 | 3 | 5 | 0 | 69 | 191.238 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 2.09 | -9.18 | 3 | 5 | 0 | 69 | 191.238 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 2.74 | -79.71 | 5 | 5 | 2 | 72 | 193.254 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 2.73 | -79.92 | 5 | 5 | 2 | 72 | 193.254 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
