UCSF

ZINC03643788

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 No

Popular Name: 2-Pyridinecarboxylic acid, 5-(4-chlorobutyl)-; 5-(4-Chlorbutyl)picolinsaeure [German]; 5-(4-Chlorobutyl)-2-pyridinecarboxylic acid; 5-(4-Chlorobutyl)picolinic acid; BRN 0473594; FD 008; LS-109657; Picolinic acid, 5-(4-chlorobutyl)- 2-Pyridinecarboxylic acid, 5-(4-…

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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) 1.92 6.88 -52.48 0 3 -1 53 212.656 5 ↓
Lo Low (pH 4.5-6) 1.92 7.31 -35.58 1 3 0 54 213.664 5 ↓

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