UCSF

ZINC49544019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 No

Popular Name: (4S)-1-tert-butyl-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7 (4S)-1-tert-butyl-4-[3-(4-methox…

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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) 2.96 5.47 -11.99 2 7 0 88 397.504 4 ↓
Ref Reference (pH 7) 2.78 7.42 -12.66 2 7 0 85 397.504 4 ↓
Mid Mid (pH 6-8) 2.78 7.41 -9.55 2 7 0 85 397.504 4 ↓
Mid Mid (pH 6-8) 2.96 5.47 -9.31 2 7 0 88 397.504 4 ↓

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

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