UCSF

ZINC53661895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 Yes

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

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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) 0.50 6.18 -53.09 3 4 1 61 284.383 6 ↓
Lo Low (pH 4.5-6) 0.50 6.53 -86.17 4 4 2 62 285.391 6 ↓

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

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