In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 13 | No |
Popular Name: (2R)-N-(4H-1,2,4-triazol-3-yl)tetrahydrothiophene-2-carboxamide (2R)-N-(4H-1,2,4-triazol-3-yl)te…
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) | -0.01 | 3.92 | -43.94 | 1 | 5 | -1 | 77 | 197.243 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.19 | 5.55 | -15.09 | 2 | 5 | 0 | 71 | 198.251 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.