UCSF

ZINC09331216

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 22 Yes

Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-hydroxy-8-methyl-2,6,7-triazabicyclo[4.3.0]nona-2,7,9-triene-5-carbox N-(3-chloro-4-fluoro-phenyl)-3-h…

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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) 1.60 4.78 -17.82 2 6 0 76 322.727 2 ↓
Lo Low (pH 4.5-6) 1.78 5.03 -44.78 3 6 1 81 323.735 2 ↓

Activity (Go SEA)

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