UCSF

ZINC02559206

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 4-(3-Hydroxy-prop-1-ynyl)-benzonitrile 4-(3-Hydroxy-prop-1-ynyl)-benzon…

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CAS Numbers: 80151-16-2 , [80151-16-2]

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) 1.26 3.7 -8.26 1 2 0 44 157.172 0 ↓

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