UCSF

ZINC03953294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 11 Yes

CAS Number: 104915-66-4

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) 0.30 2.46 -9.92 1 3 0 42 150.181 1
Lo Low (pH 4.5-6) 0.30 2.74 -33.21 2 3 1 43 151.189 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5922732 IBM Patent Data

Activity (Go SEA)

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