UCSF

ZINC13509337

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 8 No

CAS Numbers: 110-44-1 , 24634-61-5 , 7492-55-9 , 7757-81-5

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) 0.97 3.81 -49.96 0 2 -1 40 111.12 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5063747 IBM Patent Data

Activity (Go SEA)

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