UCSF

ZINC69503889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 Yes

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(6-quinolyl)methanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.89 6.34 -10.8 1 3 0 38 295.411 3 ↓
Mid Mid (pH 6-8) 2.89 7.51 -43.02 2 3 1 42 296.419 3 ↓

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

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