| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | Yes |
Popular Name: 2-[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(1-methylimidazol-2-yl)met…
| 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 | 2.86 | -101.77 | 4 | 6 | 2 | 77 | 222.296 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | 2.16 | -12.02 | 2 | 6 | 0 | 75 | 220.28 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 2.42 | -53.65 | 3 | 6 | 1 | 76 | 221.288 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
