UCSF

ZINC05401498

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 16 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) 3.20 8.97 -9.51 0 2 0 17 208.264 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5523318; US5565468; US5597816; WO1993025553A1 IBM Patent Data

Activity (Go SEA)

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