UCSF

ZINC13552104

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 5 Yes

CAS Numbers: 1508-65-2 , 5633-20-5

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) 0.78 0.67 -4.5 1 1 0 20 70.091 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998017672A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.