UCSF

ZINC65503779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: (6S)-6-[4-[(2-butyl-4H-imidazol-5-yl)methyl]piperazin-1-yl]-6H-purine (6S)-6-[4-[(2-butyl-4H-imidazol-…

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Vendors

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) 1.22 4.98 -36.62 2 8 1 87 341.443 6 ↓
Mid Mid (pH 6-8) 1.22 4.58 -11.47 1 8 0 86 340.435 6 ↓

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

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