| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | Yes |
Popular Name: (1S)-1-(2,5-dimethoxyphenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(2,5-dimethoxyphenyl)-N-(…
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) | 1.05 | 4.56 | -31.78 | 2 | 6 | 0 | 75 | 262.313 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 3.56 | -10.67 | 2 | 6 | 0 | 72 | 262.313 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 4.68 | -43.93 | 3 | 6 | 1 | 77 | 263.321 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
