UCSF

ZINC39965509

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 32 Yes

Popular Name: 2-[[2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-t 2-[[2-[[5-(1,3-benzodioxol-5-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) 2.52 7.95 -22.96 1 10 0 111 474.568 7 ↓
Hi High (pH 8-9.5) 2.70 6.55 -51.13 0 10 -1 118 473.56 7 ↓

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