UCSF

ZINC39272192

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 18 Yes

Popular Name: (6R)-N6-(3-chlorophenyl)-6H-purine-2,6-diamine (6R)-N6-(3-chlorophenyl)-6H-puri…

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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) 1.56 4.38 -13.21 3 6 0 88 260.688 2 ↓
Mid Mid (pH 6-8) 1.56 4.38 -33.8 4 6 1 90 261.696 2 ↓
Lo Low (pH 4.5-6) 1.69 4.42 -37.24 4 6 1 88 261.696 2 ↓

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

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