UCSF

ZINC21954302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 1.81 3.96 -37.88 2 2 1 20 185.335 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0535250A1; EP0535250B1; EP0705817A1; US5344845 IBM Patent Data

Activity (Go SEA)

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