| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]-(4H-1,2,4-triazol-3-yl)methanone [(3S)-3-[(1R)-1-aminoethyl]-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) | -1.09 | 2.74 | -54.64 | 4 | 6 | 1 | 90 | 224.288 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.09 | 2.56 | -68.34 | 3 | 6 | 0 | 88 | 223.28 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
