UCSF

ZINC20739389

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 No

Popular Name: (4R)-4-[3-[(4-fluorophenyl)methoxy]-4-methoxy-phenyl]-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7 (4R)-4-[3-[(4-fluorophenyl)metho…

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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) 3.08 5.88 -13.45 2 6 0 80 399.447 5 ↓
Ref Reference (pH 7) 2.89 8.34 -13.67 2 6 0 76 399.447 5 ↓
Hi High (pH 8-9.5) 2.97 6.28 -45.68 0 6 -1 79 398.439 5 ↓
Mid Mid (pH 6-8) 2.89 8.32 -11.74 2 6 0 76 399.447 5 ↓
Mid Mid (pH 6-8) 3.08 5.89 -10.95 2 6 0 80 399.447 5 ↓

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