UCSF

ZINC53929035

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (2S)-2-[[(4-bromo-2-thienyl)methyl-methyl-amino]methyl]cycloheptanone (2S)-2-[[(4-bromo-2-thienyl)meth…

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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) 3.84 9.75 -40.55 1 2 1 22 331.299 4 ↓
Mid Mid (pH 6-8) 3.84 7.64 -6.44 0 2 0 20 330.291 4 ↓

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

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