UCSF

ZINC13514509

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 12 Yes

Popular Name: 2-Amino-3H-quinazolin-4-one 2-Amino-3H-quinazolin-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100643-17-1 , 20198-19-0

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) 0.79 2.79 -13.18 3 4 0 72 161.164 0 ↓
Hi High (pH 8-9.5) 1.25 1.65 -43.77 2 4 -1 75 160.156 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.67e+00 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-1-E Queuine TRNA-ribosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGT_HUMAN Q9BXR0 Queuine TRNA-ribosyltransferase, Human 2100 0.66 Binding ≤ 10μM

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