UCSF

ZINC54913355

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 24 No

Popular Name: 3-[3-(4-nitrophenoxy)propylsulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 3-[3-(4-nitrophenoxy)propylsulfa…

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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) 3.48 10.96 -14.29 0 7 0 86 348.428 7 ↓

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

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