UCSF

ZINC04280686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 8 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) -1.80 -1.42 -32.95 2 3 0 56 135.188 3
Hi High (pH 8-9.5) -1.80 -2.38 -53.06 2 3 -1 56 134.18 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CBPA1-1-E Carboxypeptidase A1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2400 0.98 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CBPA1_BOVIN P00730 Carboxypeptidase A1, Bovin 2400 0.98 Binding ≤ 10μM

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