UCSF

ZINC52827780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

Popular Name: N-butyl-1-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide N-butyl-1-[(1-methyl-4-oxo-5H-py…

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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) 0.76 4.38 -18.63 2 8 0 96 346.435 6 ↓
Mid Mid (pH 6-8) 1.22 3.98 -56.47 2 8 0 100 346.435 6 ↓
Mid Mid (pH 6-8) 0.76 6.59 -66.27 3 8 1 97 347.443 6 ↓

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

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