UCSF

ZINC48945483

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3-bromophenyl)-[(2S)-2-(2-pyridyl)pyrrolidin-1-yl]methanone (3-bromophenyl)-[(2S)-2-(2-pyrid…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.50 8.36 -10.57 0 3 0 33 331.213 2 ↓
Lo Low (pH 4.5-6) 2.50 8.9 -32.37 1 3 1 34 332.221 2 ↓

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

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