UCSF

ZINC13863980

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 19 Yes

Popular Name: N-[(1S)-1-phenylethyl]quinolin-4-amine N-[(1S)-1-phenylethyl]quinolin-4…

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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) 3.99 8.61 -28.81 2 2 1 26 249.337 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 701 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 701 0.45 Functional ≤ 10μM

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