UCSF

ZINC13234187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 18 Yes

Popular Name: 2-(4-methylpiperazin-1-yl)quinazolin-4-amine 2-(4-methylpiperazin-1-yl)quinaz…

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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) 2.00 7.98 -39.85 3 5 1 59 244.322 1 ↓
Mid Mid (pH 6-8) 2.00 3.84 -11.87 2 5 0 58 243.314 1 ↓
Lo Low (pH 4.5-6) 2.00 6.56 -81.86 4 5 2 61 245.33 1 ↓
Lo Low (pH 4.5-6) 2.00 3.25 -84.19 4 5 2 61 245.33 1 ↓

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 2138 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 1737.80083 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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