UCSF

ZINC12539427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 Yes

Popular Name: 3-butyl-7-ethyl-8-[(1-phenyltetrazol-5-yl)sulfanylmethyl]purine-2,6-dione 3-butyl-7-ethyl-8-[(1-phenyltetr…

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Download: MOL2 SDF SMILES Flexibase

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) 2.14 9.41 -12.97 1 10 0 116 426.506 8 ↓
Mid Mid (pH 6-8) 2.14 9.86 -46.71 2 10 1 118 427.514 8 ↓

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

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