UCSF

ZINC53437413

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3-bromophenyl)methyl]-N'-methyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-[(3-bromophenyl)methyl]-N'-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) 3.02 7.34 -38.53 2 3 1 26 342.301 7 ↓
Hi High (pH 8-9.5) 3.02 5.02 -3.26 1 3 0 24 341.293 7 ↓
Mid Mid (pH 6-8) 3.02 6.2 -37.03 2 3 1 29 342.301 7 ↓
Lo Low (pH 4.5-6) 3.02 8.54 -118.31 3 3 2 30 343.309 7 ↓

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Rings

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

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