UCSF

ZINC53425362

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3-chlorophenyl)methyl]-N'-methyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-[(3-chlorophenyl)methyl]-N'-m…

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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) 2.88 7.82 -39.95 2 3 1 26 297.85 7 ↓
Hi High (pH 8-9.5) 2.88 5.5 -2.48 1 3 0 24 296.842 7 ↓
Mid Mid (pH 6-8) 2.88 6.37 -38.04 2 3 1 29 297.85 7 ↓
Lo Low (pH 4.5-6) 2.88 8.7 -120.75 3 3 2 30 298.858 7 ↓

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Rings

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

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