UCSF

ZINC41473042

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 Yes

Popular Name: N-[4-(4-methylpiperazin-1-yl)butyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine N-[4-(4-methylpiperazin-1-yl)but…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.37 8.75 -75.39 3 4 2 34 340.515 6 ↓
Hi High (pH 8-9.5) 3.37 6.5 -24.57 2 4 1 33 339.507 6 ↓
Mid Mid (pH 6-8) 3.37 8.87 -66.6 3 4 2 34 340.515 6 ↓

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

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