UCSF

ZINC67235645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 35 Yes

Popular Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-7-(3-methoxyphenyl)-5-methyl-pyrrolo[3,2-d]pyrimidin-4-on 3-[2-(4-benzylpiperazin-1-yl)-2-…

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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) 3.48 11.62 -23.04 0 8 0 73 471.561 6 ↓
Mid Mid (pH 6-8) 3.48 13.84 -61.4 1 8 1 74 472.569 6 ↓

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

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