UCSF

ZINC53447602

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Popular Name: N'-benzyl-N-[(4-fluorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-benzyl-N-[(4-fluorophenyl)met…

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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) 3.09 8.84 -42.62 2 2 1 16 273.375 7 ↓
Mid Mid (pH 6-8) 3.09 7.88 -44.42 2 2 1 20 273.375 7 ↓
Lo Low (pH 4.5-6) 3.09 10.19 -130.56 3 2 2 21 274.383 7 ↓

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

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