UCSF

ZINC49544098

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 22 No

Popular Name: (4S)-4-(3-hydroxy-4-methoxy-phenyl)-1,3-dimethyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(3-hydroxy-4-methoxy-phen…

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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) 1.30 1.43 -10.5 2 6 0 80 319.386 2 ↓
Ref Reference (pH 7) 1.12 3.8 -10.53 2 6 0 76 319.386 2 ↓

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

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