UCSF

ZINC39315925

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 1.58 11.93 -141.94 1 10 -2 156 494.481 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4245088 IBM Patent Data

Activity (Go SEA)

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