UCSF

ZINC03872286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 17 Yes

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) 0.11 0.95 -9.07 3 7 0 99 235.247 1
Lo Low (pH 4.5-6) 0.11 1.21 -36.07 4 7 1 100 236.255 1
Lo Low (pH 4.5-6) 0.11 -3.21 -29.36 4 7 1 100 236.255 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADCY5-1-E Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic Eukaryotes 2800 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 2800 0.46 Binding ≤ 10μM

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