UCSF

ZINC05826902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2006 12 No

Popular Name: 2-Propynyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochloride; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride; LS-131049 2-Propynyl 1,2,5,6-tetrahydro-3-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.36 4.38 -45.43 2 3 1 43 166.2 3 ↓
Mid Mid (pH 6-8) 0.36 3.01 -5.81 1 3 0 38 165.192 3 ↓

Activity (Go SEA)

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