UCSF

ZINC27528378

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 30 No

Popular Name: (4S)-6-amino-3-(3-nitrophenyl)-4-(4-nitrophenyl)-1,4-dihydropyrano[5,6-d]pyrazole-5-carbonitrile (4S)-6-amino-3-(3-nitrophenyl)-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) 2.79 6.5 -19.92 3 11 0 179 404.342 4 ↓
Mid Mid (pH 6-8) 2.79 5.91 -19.31 3 11 0 179 404.342 4 ↓
Lo Low (pH 4.5-6) 2.79 6.68 -78.35 4 11 1 181 405.35 4 ↓

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