UCSF

ZINC18956821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2008 32 Yes

Popular Name: 3-butyl-7-ethyl-8-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]purine-2,6-dione 3-butyl-7-ethyl-8-[(4-ethyl-5-ph…

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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) 3.49 12.53 -14.13 1 9 0 103 453.572 9 ↓
Mid Mid (pH 6-8) 3.49 12.98 -43.17 2 9 1 105 454.58 9 ↓

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

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