UCSF

ZINC37492123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 20 Yes

Popular Name: 3-chloro-N-[2-(3-pyridyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine 3-chloro-N-[2-(3-pyridyl)ethyl]-…

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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) 2.97 7.02 -5.96 1 3 0 38 301.699 5 ↓
Lo Low (pH 4.5-6) 2.97 7.49 -35.63 2 3 1 39 302.707 5 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.