| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 16 | Yes |
Popular Name: (1S)-1-(1-methylimidazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (1S)-1-(1-methylimidazol-2-yl)-N…
| 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) | -0.76 | 5.52 | -36.43 | 2 | 6 | 1 | 62 | 221.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | 4.75 | -15.82 | 1 | 6 | 0 | 61 | 220.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.76 | 6.05 | -47.59 | 2 | 6 | 1 | 65 | 221.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
