UCSF

ZINC53944076

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 24 No

Popular Name: 7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine-4-thiol 7-(3-chloro-4-methyl-phenyl)-5-p…

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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) 5.40 13.51 -48.55 0 3 -1 31 350.854 2 ↓
Mid Mid (pH 6-8) 4.67 13.93 -17.55 1 3 0 34 351.862 2 ↓

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

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