In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 19 | Yes |
Popular Name: (4R)-4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4R)-4-(5-tert-butyl-2-methyl-1,…
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) | 2.58 | 6.85 | -44.08 | 2 | 4 | 1 | 47 | 277.417 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 5.59 | -7.53 | 1 | 4 | 0 | 43 | 276.409 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.