UCSF

ZINC02369581

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 32 Yes

Popular Name: 4H-1,2,4-Triazole, 3-(2-benzofuranyl)-5-[[(3-bromo-4-methoxyphenyl)methyl]thio]-4-(phenylmethyl)- (9CI) 4H-1,2,4-Triazole, 3-(2-benzofur…

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CAS Number: 578004-51-0

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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) 6.93 1.64 -11.87 0 5 0 53 506.425 7 ↓

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