UCSF

ZINC02525685

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3-(3-Hydroxy-prop-1-ynyl)-benzoic acid methyl ester 3-(3-Hydroxy-prop-1-ynyl)-benzoi…

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CAS Number: 121114-45-2

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) 1.65 3.95 -11.5 1 3 0 47 190.198 2 ↓

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