UCSF

ZINC52863912

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: 6-[(4-butanoylpiperazin-1-yl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-butanoylpiperazin-1-yl)met…

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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) 0.09 4.25 -18.91 1 8 0 87 318.381 4 ↓
Mid Mid (pH 6-8) 0.55 3.81 -56.94 1 8 0 91 318.381 4 ↓
Lo Low (pH 4.5-6) 0.09 6.43 -67.69 2 8 1 88 319.389 4 ↓

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

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