UCSF

ZINC44667951

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 32 No

Popular Name: EG00229 EG00229

Find On: PubMed — Wikipedia — Google

CAS Number: 1210945-69-9

Other Names:

EG-00229

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) -1.05 2.35 -77.01 7 12 0 205 497.584 11 ↓
Mid Mid (pH 6-8) -1.05 1.97 -128.79 6 12 -1 207 496.576 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NRP1-1-E Neuropilin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NRP1_HUMAN O14786 Neuropilin-1, Human 3000 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CHL1 interactions
CRMPs in Sema3A signaling
Neurophilin interactions with VEGF and VEGFR
Sema3A PAK dependent Axon repulsion
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion
Signal transduction by L1

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

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