UCSF

ZINC00899902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 No

CAS Numbers: 18642-23-4 , [18642-23-4]

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) 4.79 -0.05 -10.98 2 5 0 83 336.343 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000059520A1 IBM Patent Data

Activity (Go SEA)

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