UCSF

ZINC65505677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: 3-(4-methyl-1,2,4-triazol-3-yl)-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]propan-1-one 3-(4-methyl-1,2,4-triazol-3-yl)-…

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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) 2.14 11.72 -15.56 0 6 0 60 352.438 3 ↓

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Rings

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

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