UCSF

ZINC53926947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 15 Yes

Popular Name: (2R)-2-[[methyl(3-thienylmethyl)amino]methyl]cyclopentanone (2R)-2-[[methyl(3-thienylmethyl)…

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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) 1.78 7.78 -40.73 1 2 1 22 224.349 4 ↓
Hi High (pH 8-9.5) 1.78 5.61 -5.06 0 2 0 20 223.341 4 ↓

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

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