UCSF

ZINC03631062

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 11 No

Popular Name: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochloride; Ethyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochloride; LS-131036 3-Pyridinecarboxylic acid, 1,2,5…

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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) 0.57 3.85 -45.2 2 3 1 43 156.205 3 ↓
Mid Mid (pH 6-8) 0.57 2.47 -4.98 1 3 0 38 155.197 3 ↓

Activity (Go SEA)

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