UCSF

ZINC49550586

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4R)-1-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-on (4R)-1-tert-butyl-4-(2,3-dihydro…

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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) 2.43 5.95 -9.55 1 6 0 69 359.451 2 ↓
Ref Reference (pH 7) 2.25 7.93 -9.08 1 6 0 65 359.451 2 ↓

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

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