In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 26th, 2011 | 17 | Yes |
Popular Name: (3R)-1-acetyl-N-(4H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (3R)-1-acetyl-N-(4H-1,2,4-triazo…
None
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) | -0.94 | 5.25 | -18.28 | 2 | 7 | 0 | 91 | 237.263 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.76 | 3.9 | -50.96 | 1 | 7 | -1 | 97 | 236.255 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.