UCSF

ZINC49694985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 28 No

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) 1.36 21.66 -101.44 0 2 2 0 398.764 21

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4824867; US4874784; US4874785; US4874788; US4874789; US4883917 IBM Patent Data

Activity (Go SEA)

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