In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 15 | Yes |
Popular Name: (1R)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-(1H-imidazol-4-yl)ethanamine (1R)-1-(4,5-dimethyl-1,2,4-triaz…
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) | -2.83 | 3.86 | -38.8 | 4 | 6 | 1 | 87 | 207.261 | 3 | ↓ |
Hi High (pH 8-9.5) | -2.83 | 3.24 | -14.63 | 3 | 6 | 0 | 85 | 206.253 | 3 | ↓ |
Lo Low (pH 4.5-6) | -2.83 | 3.66 | -113.25 | 5 | 6 | 2 | 88 | 208.269 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.