UCSF

ZINC22936843

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 Yes

Popular Name: N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine N-[[3-bromo-4-[(4-chlorophenyl)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) 5.36 10.05 -50.22 2 3 1 29 438.817 8 ↓
Mid Mid (pH 6-8) 5.36 11.06 -37.89 2 3 1 26 438.817 8 ↓
Lo Low (pH 4.5-6) 5.36 12.37 -124.22 3 3 2 30 439.825 8 ↓

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

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