UCSF

ZINC49544069

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 No

Popular Name: (4S)-4-(5-chloro-2-fluoro-phenyl)-1,3-dimethyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(5-chloro-2-fluoro-phenyl…

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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) 2.73 4.8 -8.23 1 4 0 50 325.796 1 ↓
Ref Reference (pH 7) 2.55 7.16 -7.92 1 4 0 47 325.796 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.