| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | Yes |
Popular Name: (1R)-1-[(3S)-1-ethyl-3-piperidyl]-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1R)-1-[(3S)-1-ethyl-3-piperidyl…
| 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) | 0.56 | 5.28 | -38.2 | 3 | 5 | 1 | 58 | 238.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 6.38 | -106.93 | 4 | 5 | 2 | 63 | 239.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
