UCSF

ZINC04168807

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 No

Popular Name: 4-amino-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona 4-amino-2-[3-(4-fluorophenyl)-1H…

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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) 3.10 3.75 -11.51 4 8 0 126 428.427 4 ↓
Mid Mid (pH 6-8) 3.10 2.94 -10.63 4 8 0 126 428.427 4 ↓
Mid Mid (pH 6-8) 3.10 3.75 -10.56 4 8 0 126 428.427 4 ↓
Lo Low (pH 4.5-6) 3.10 3.31 -56.44 5 8 1 127 429.435 4 ↓

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