UCSF

ZINC53425332

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-benzyl-N-[(3-chlorophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-benzyl-N-[(3-chlorophenyl)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) 3.58 8.32 -43.14 2 2 1 20 289.83 7 ↓
Hi High (pH 8-9.5) 3.58 9.29 -40.29 2 2 1 16 289.83 7 ↓
Lo Low (pH 4.5-6) 3.58 10.65 -127.63 3 2 2 21 290.838 7 ↓

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

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