UCSF

ZINC00596596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 35 Yes

Popular Name: BAY-60-7550 BAY-60-7550

Find On: PubMed — Wikipedia — Google

CAS Number: 439083-90-6

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) 3.45 10.07 -18.34 2 8 0 102 476.577 10 ↓
Ref Reference (pH 7) 3.45 9.32 -29.24 2 8 0 102 476.577 10 ↓
Hi High (pH 8-9.5) 3.91 9.05 -49.58 1 8 -1 105 475.569 10 ↓
Mid Mid (pH 6-8) 3.45 -1.26 -41.3 3 8 1 103 477.585 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE2A-1-E Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE2A_HUMAN O00408 Phosphodiesterase 2A, Human 4.7 0.33 Binding ≤ 1μM
PDE2A_HUMAN O00408 Phosphodiesterase 2A, Human 4.7 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events

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