UCSF

ZINC67131154

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 28 Yes

Popular Name: 3-butyl-8-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-purine-2,6-dione 3-butyl-8-(3,4-dihydro-2H-1,5-be…

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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) 2.61 10.69 -10.64 1 7 0 76 399.52 5 ↓

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

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