UCSF

ZINC21525114

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 No

Popular Name: (4R)-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(4-hydroxy-3-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) 1.05 2.39 -9.81 3 6 0 87 305.359 2 ↓
Mid Mid (pH 6-8) 1.05 2.39 -10.76 3 6 0 87 305.359 2 ↓
Mid Mid (pH 6-8) 1.23 -0.08 -11.26 3 6 0 91 305.359 2 ↓

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