UCSF

ZINC69503805

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

Popular Name: (S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(8-quinolyl)methanamine (S)-5,6-dihydro-4H-cyclopenta[d]…

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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) 2.49 5.66 -9.24 2 3 0 52 281.384 2 ↓
Lo Low (pH 4.5-6) 2.49 5.99 -40.51 3 3 1 53 282.392 2 ↓

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

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