| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | Yes |
Popular Name: N-[3-[(1S)-1-(4H-1,2,4-triazol-3-ylmethylamino)ethyl]phenyl]acetamide N-[3-[(1S)-1-(4H-1,2,4-triazol-3…
| 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) | 0.21 | 4.69 | -41.12 | 3 | 6 | 0 | 86 | 259.313 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 3.72 | -14.48 | 3 | 6 | 0 | 83 | 259.313 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 4.81 | -55.79 | 4 | 6 | 1 | 87 | 260.321 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
