UCSF

ZINC26146162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 1.16 3.28 -49.7 4 6 1 78 330.456 5
Mid Mid (pH 6-8) 1.16 5.19 -41.97 4 6 1 77 330.456 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5654320 IBM Patent Data

Activity (Go SEA)

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