UCSF

ZINC49549828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 No

Popular Name: (4S)-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-[3-(4-methoxyphenyl)-1H-p…

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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) 1.78 2.72 -12.56 2 7 0 88 355.423 3 ↓
Ref Reference (pH 7) 1.60 5.09 -13.43 2 7 0 85 355.423 3 ↓
Mid Mid (pH 6-8) 1.60 5.11 -10.31 2 7 0 85 355.423 3 ↓
Mid Mid (pH 6-8) 1.78 2.72 -9.8 2 7 0 88 355.423 3 ↓

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

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