UCSF

ZINC04429996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 26 No

Other Names:

MFCD00200339

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) 1.62 -4.17 -14.07 3 5 0 94 362.466 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4879379 IBM Patent Data

Activity (Go SEA)

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