| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-(1H-triazol-4-yl)methanone [(3S,4S)-3-amino-4-methyl-1-pipe…
| 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) | -0.80 | -0.3 | -47.02 | 4 | 6 | 1 | 90 | 210.261 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | 0.05 | -34.38 | 2 | 6 | -1 | 86 | 208.245 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | -0.32 | -62.14 | 3 | 6 | 0 | 88 | 209.253 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
