UCSF

ZINC55466521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 22 Yes

Popular Name: 2-(diethylamino)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetamide 2-(diethylamino)-N-(2,3-dihydro-…

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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) 3.19 7.72 -32.09 2 4 1 50 298.41 4 ↓
Hi High (pH 8-9.5) 3.19 5.53 -17.39 1 4 0 48 297.402 4 ↓
Lo Low (pH 4.5-6) 3.19 8.72 -82.58 3 4 2 51 299.418 4 ↓

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

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