UCSF

ZINC59817697

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 26 No

Popular Name: 6-[(4-chlorobenzyl)sulfanyl]-3-methyl-5-phenylisoxazolo[5,4-d]pyrimidin-4(5H)-imine 6-[(4-chlorobenzyl)sulfanyl]-3-m…

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Other Names:

MFCD09758175

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) 1.17 10.32 -30.31 2 5 1 69 383.884 4 ↓
Mid Mid (pH 6-8) 3.22 10.4 -9.07 1 5 0 68 382.876 4 ↓

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

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