UCSF

ZINC38153662

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 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) 4.99 13.87 -49.5 0 4 -1 74 367.465 9
Lo Low (pH 4.5-6) 4.99 11.89 -11.15 1 4 0 71 368.473 9
Lo Low (pH 4.5-6) 4.99 11.88 -10.47 1 4 0 71 368.473 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-5-O Oryctolagus Cuniculus (cluster #5 Of 8), Other Other 3200 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 3200 0.28 Functional ≤ 10μM

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