UCSF

ZINC12360732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 17 Yes

Popular Name: 6,7,8-trimethoxyquinazolin-4-amine 6,7,8-trimethoxyquinazolin-4-amine

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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) 0.95 -0.86 -11.37 2 6 0 80 235.243 3 ↓
Lo Low (pH 4.5-6) 0.95 -6.51 -35.53 3 6 1 81 236.251 3 ↓
Lo Low (pH 4.5-6) 0.95 -0.66 -31.82 3 6 1 81 236.251 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q864F1-1-E Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 9600 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q864F1_PIG Q864F1 Phosphodiesterase 5, Pig 9600 0.41 Binding ≤ 10μM

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

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