| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 15 | Yes |
Popular Name: (1S)-1-(2-pyridyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(2-pyridyl)-N-(4H-1,2,4-t…
| 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) | -0.16 | 3.08 | -8.81 | 2 | 5 | 0 | 66 | 203.249 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | 3.1 | -10.84 | 2 | 5 | 0 | 66 | 203.249 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | 4.29 | -42.34 | 3 | 5 | 1 | 71 | 204.257 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.16 | 4.16 | -32.7 | 2 | 5 | 0 | 69 | 203.249 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
