| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | Yes |
Popular Name: (1S,2R)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-butan-1-amine (1S,2R)-1-[5-(2-furyl)-1H-imidaz…
| 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) | -0.04 | 3.53 | -54.74 | 4 | 4 | 1 | 69 | 220.296 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 3.23 | -8.38 | 3 | 4 | 0 | 68 | 219.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 3.19 | -5.84 | 3 | 4 | 0 | 68 | 219.288 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 4.1 | -116.21 | 5 | 4 | 2 | 71 | 221.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 4.09 | -113.73 | 5 | 4 | 2 | 71 | 221.304 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
