UCSF

ZINC09216813

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 Yes

Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 2.80 -0.25 -15.06 0 8 0 82 437.525 8 ↓

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