UCSF

ZINC67236854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 34 Yes

Popular Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-on 2-[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) 3.12 10.94 -17.26 1 7 0 74 473.602 6 ↓
Mid Mid (pH 6-8) 3.12 13.15 -57.69 2 7 1 75 474.61 6 ↓

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

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