UCSF

ZINC29485680

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 20 Yes

Popular Name: 5-(2-hydroxyphenyl)-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol 5-(2-hydroxyphenyl)-3-propyl-1H-…

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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) 3.07 1.42 -56.8 2 6 -1 98 269.284 3 ↓
Mid Mid (pH 6-8) 2.61 2.69 -9.7 3 6 0 95 270.292 3 ↓
Mid Mid (pH 6-8) 2.61 3.02 -13.64 3 6 0 95 270.292 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 1000 0.42 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 1000 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects

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

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