UCSF

ZINC21184832

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 33 Yes

Popular Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1 (2S)-1-(4-benzylpiperazin-1-yl)-…

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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) 3.88 11.5 -14.56 0 7 0 63 465.623 8 ↓

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