UCSF

ZINC65329732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 35 Yes

Popular Name: 3-isobutyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5-ca 3-isobutyl-N-[3-[4-(2-methoxyphe…

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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) 2.53 9.97 -54.52 2 9 1 94 482.605 9 ↓
Mid Mid (pH 6-8) 2.53 7.75 -22.52 1 9 0 93 481.597 9 ↓

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Rings

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

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