UCSF

ZINC05095158

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 28 No

Popular Name: 4-amino-9-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-trien 4-amino-9-(4-methoxyphenyl)-2-(4…

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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) 3.38 5.4 -9.99 3 6 0 97 390.468 4 ↓
Mid Mid (pH 6-8) 3.38 4.8 -9.97 3 6 0 97 390.468 4 ↓
Lo Low (pH 4.5-6) 3.39 5.69 -60.09 4 6 1 99 391.476 4 ↓

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