| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[(4-methyl-1H-imidazol-5-…
None
| 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) | -0.47 | 5.71 | -52.02 | 3 | 6 | 1 | 76 | 221.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | 4.56 | -17.06 | 2 | 6 | 0 | 71 | 220.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.47 | 6.17 | -108.25 | 4 | 6 | 2 | 77 | 222.296 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.47 | 5.01 | -41.55 | 3 | 6 | 1 | 73 | 221.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
