UCSF

ZINC40402198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 24 Yes

Popular Name: 2-(4-methylpiperazin-1-yl)-N-phenyl-quinazolin-4-amine 2-(4-methylpiperazin-1-yl)-N-phe…

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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) 4.50 13.2 -39.38 2 5 1 45 320.42 3 ↓
Hi High (pH 8-9.5) 4.50 10.85 -9.07 1 5 0 44 319.412 3 ↓
Mid Mid (pH 6-8) 4.50 13.42 -85.77 3 5 2 47 321.428 3 ↓
Mid Mid (pH 6-8) 4.50 11.11 -23.99 2 5 1 46 320.42 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH4-1-E Histamine H4 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 8511 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 8511.38038 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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

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