| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 1-[(3S,4S)-3-amino-4-methyl-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone 1-[(3S,4S)-3-amino-4-methyl-1-pi…
| 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) | -1.45 | 3.92 | -55.61 | 3 | 6 | 1 | 79 | 224.288 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.45 | 4.26 | -16.15 | 2 | 6 | 0 | 77 | 223.28 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
