UCSF

ZINC69510514

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 27 Yes

Popular Name: (3Z)-3-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxyl (3Z)-3-[(3-chloro-4-hydroxy-5-me…

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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) 4.68 9.56 -54.53 1 5 -1 82 380.807 3 ↓
Hi High (pH 8-9.5) 4.68 10.47 -105.39 0 5 -2 85 379.799 3 ↓
Mid Mid (pH 6-8) 4.68 9.62 -40.4 2 5 0 84 381.815 3 ↓

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

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