UCSF

ZINC39234360

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 13 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) 3.17 5.17 -4.02 1 1 0 20 178.275 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0247381A2; EP0247381B1; EP0498680A1; EP0557035A2; EP0557035A3; EP0587311A1; US4940718; US5011938; US5047521; US5302711; US5629406 IBM Patent Data

Activity (Go SEA)

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