UCSF

ZINC65330838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 34 Yes

Popular Name: 8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide 8-chloro-N-[3-(4-cyclohexylpiper…

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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) 5.40 9.83 -45.69 2 6 1 59 502.104 7 ↓
Hi High (pH 8-9.5) 5.40 7.62 -15.09 1 6 0 58 501.096 7 ↓

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

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