UCSF

ZINC37866093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2009 11 Yes

CAS Numbers: 1802-20-6 , [1802-20-6]

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) 3.07 6.49 -3.48 0 1 0 13 149.237 4
Lo Low (pH 4.5-6) 3.07 6.95 -30.34 1 1 1 14 150.245 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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