| 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-trimethyl-3-pyridyl)ethanamine (1S)-N-(4H-1,2,4-triazol-3-ylmet…
| 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) | 0.98 | 5.93 | -40.54 | 3 | 5 | 1 | 71 | 246.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.34 | -9.47 | 2 | 5 | 0 | 66 | 245.33 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.71 | -31.44 | 3 | 5 | 1 | 68 | 246.338 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 6.29 | -100.44 | 4 | 5 | 2 | 72 | 247.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
