In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 17 | Yes |
Popular Name: (4S)-4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4S)-4-(5-ethyl-2-methyl-1,2,4-t…
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) | 1.43 | 5.84 | -44.96 | 2 | 4 | 1 | 47 | 249.363 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 4.51 | -9.18 | 1 | 4 | 0 | 43 | 248.355 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.