UCSF

ZINC20898795

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 No

Popular Name: (4S)-3-methyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-(3,4,5-trimethox…

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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) 1.34 4.43 -11.59 2 7 0 85 349.412 4 ↓
Mid Mid (pH 6-8) 1.34 4.37 -12.31 2 7 0 85 349.412 4 ↓
Mid Mid (pH 6-8) 1.53 1.91 -12.59 2 7 0 89 349.412 4 ↓

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