| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | Yes |
Popular Name: (2R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-imidazol-1-yl-propan-2-amine (2R)-N-[(4,5-dimethyl-1,2,4-tria…
| 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) | -0.78 | 7.07 | -56.36 | 2 | 6 | 1 | 65 | 235.315 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | 5.78 | -16.79 | 1 | 6 | 0 | 61 | 234.307 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | 6.29 | -36.46 | 2 | 6 | 1 | 62 | 235.315 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | 7.58 | -111.01 | 3 | 6 | 2 | 66 | 236.323 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
