| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 18 | Yes |
Popular Name: (1S)-N-(4H-1,2,4-triazol-3-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine (1S)-N-(4H-1,2,4-triazol-3-ylmet…
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) | 2.21 | 7.66 | -30.03 | 2 | 4 | 0 | 56 | 244.342 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 7.25 | -7.69 | 2 | 4 | 0 | 54 | 244.342 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.79 | -43.97 | 3 | 4 | 1 | 58 | 245.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
