UCSF

ZINC05138802

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 14 No

Other Names:

YS-980

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) -1.12 -1.38 -51.35 0 4 -1 60 234.322 3
Hi High (pH 8-9.5) -1.12 -2.34 -104.06 0 4 -2 60 233.314 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4283407 IBM Patent Data

Activity (Go SEA)

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