UCSF

ZINC29126750

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 27 No

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) 5.14 8.02 -18.13 2 5 0 71 380.831 6
Hi High (pH 8-9.5) 5.14 8.69 -48.42 1 5 -1 74 379.823 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PACR-1-E Pituitary Adenylate Cyclase-activating Polypeptide Type I Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 522 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PACR_HUMAN P41586 Pituitary Adenylate Cyclase-activating Polypeptide Type I Receptor, Human 522 0.33 Binding ≤ 1μM
PACR_HUMAN P41586 Pituitary Adenylate Cyclase-activating Polypeptide Type I Receptor, Human 522 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Glucagon-type ligand receptors
NGF-independant TRKA activation

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