UCSF

ZINC04550815

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 28 No

Popular Name: 2-[4-(4-amino-3-cyano-9-methyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-trien-2-yl)-3-phenyl-pyrazol 2-[4-(4-amino-3-cyano-9-methyl-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) 0.23 -5.25 -21.55 5 9 0 148 375.392 4 ↓
Lo Low (pH 4.5-6) 0.23 0.61 -69.94 6 9 1 150 376.4 4 ↓

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