| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]-(1H-triazol-4-yl)methanone [(3S)-3-[(1S)-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) | -0.56 | 0.58 | -48.74 | 4 | 6 | 1 | 90 | 224.288 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | 0.56 | -66.84 | 3 | 6 | 0 | 88 | 223.28 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
