UCSF

ZINC53662359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 20 Yes

Popular Name: 3-(2-aminoethyl)-N-[2-(4-pyridyl)ethyl]benzamide 3-(2-aminoethyl)-N-[2-(4-pyridyl…

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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) 0.60 4.43 -53.38 4 4 1 70 270.356 6 ↓
Lo Low (pH 4.5-6) 0.60 4.89 -88.59 5 4 2 71 271.364 6 ↓

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

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