UCSF

ZINC38581546

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 Yes

Popular Name: N-[(3R)-3H-1,2,4-triazol-3-yl]-2-[(6S,7R)-2,2,6-trimethyl-8-oxo-3,4,6,7-tetrahydropyrano[3,2-g]chrom N-[(3R)-3H-1,2,4-triazol-3-yl]-2…

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Physical Representations

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) 2.32 9.97 -22.85 2 8 0 109 370.409 2 ↓
Mid Mid (pH 6-8) 2.33 9.51 -52.77 1 8 -1 113 369.401 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.