UCSF

ZINC00057318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) -0.97 -3.76 -11.23 3 7 0 105 256.258 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0145739A1; EP0272446A1; EP0272446B1; EP0273169A2; EP0274025A2; EP0539493A1; EP0539493B1; EP0559744A1; EP0569533A1; EP0586523A1; EP0594667A1; EP0746319A1; EP0831849A1; EP0833665A1; EP0879288A1; EP0910654A1; EP1005377A2; EP1025212A2; US4182859; US4210638 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 900 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 1500 0.45 Functional ≤ 10μM

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