UCSF

ZINC52829472

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 6-[[(4-chlorophenyl)methyl-cyclopropyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(4-chlorophenyl)methyl-cyclo…

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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) 1.88 7.45 -12.4 1 6 0 67 343.818 5 ↓
Mid Mid (pH 6-8) 2.34 6.73 -50.8 1 6 0 71 343.818 5 ↓
Mid Mid (pH 6-8) 1.88 9.5 -56.42 2 6 1 68 344.826 5 ↓

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

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