UCSF

ZINC20898793

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 No

Popular Name: (4R)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(4-hydroxy-3,5-dimethoxy-…

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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) 1.06 2.28 -11.36 3 7 0 96 335.385 3 ↓
Ref Reference (pH 7) 1.25 -0.15 -11.05 3 7 0 100 335.385 3 ↓
Mid Mid (pH 6-8) 1.25 -0.2 -12.52 3 7 0 100 335.385 3 ↓
Mid Mid (pH 6-8) 1.06 2.28 -12.04 3 7 0 96 335.385 3 ↓

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