UCSF

ZINC45284295

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 36 No

Popular Name: (2S)-N-[4-(3-chloro-4-fluoro-anilino)-7-(2-methoxyethoxy)quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine (2S)-N-[4-(3-chloro-4-fluoro-ani…

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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) 3.84 9.94 -19.59 2 9 0 106 513.957 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-1-O A431 (cluster #1 Of 4), Other Other 11 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 11 0.31 Functional ≤ 10μM

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