UCSF

ZINC05562695

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 No

Popular Name: N-[4-(4-amino-3-cyano-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-trien-2-yl)phenyl]acetamide N-[4-(4-amino-3-cyano-9-phenyl-5…

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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) 2.11 4.05 -15.22 4 7 0 117 371.4 3 ↓
Ref Reference (pH 7) 2.11 3.38 -15.62 4 7 0 117 371.4 3 ↓
Lo Low (pH 4.5-6) 2.11 4.23 -64.08 5 7 1 118 372.408 3 ↓

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