UCSF

ZINC49547854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 19 No

Popular Name: (4R)-4-(3,5-dimethylisoxazol-4-yl)-1-methyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4R)-4-(3,5-dimethylisoxazol-4-y…

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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) 0.60 2.13 -9.95 1 6 0 76 278.337 1 ↓
Ref Reference (pH 7) 0.41 4.52 -10.12 1 6 0 73 278.337 1 ↓

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

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