UCSF

ZINC04167340

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 No

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

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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) 2.69 3.95 -13.36 4 9 0 135 458.453 5 ↓
Mid Mid (pH 6-8) 2.69 3.27 -11.18 4 9 0 135 458.453 5 ↓
Mid Mid (pH 6-8) 2.69 3.84 -11.74 4 9 0 135 458.453 5 ↓
Lo Low (pH 4.5-6) 2.69 3.49 -54.35 5 9 1 137 459.461 5 ↓

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Rings

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