UCSF

ZINC53447439

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-benzyl-N-[(3-methoxyphenyl)methyl]-N-methyl-ethane-1,2-diamine N'-benzyl-N-[(3-methoxyphenyl)me…

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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) 2.96 8.06 -38.71 2 3 1 26 285.411 8 ↓
Mid Mid (pH 6-8) 2.96 7.1 -42.73 2 3 1 29 285.411 8 ↓
Lo Low (pH 4.5-6) 2.96 9.43 -124.49 3 3 2 30 286.419 8 ↓

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

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