UCSF

ZINC18030817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 13 Yes

Other Names:

MFCD00090256

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) 2.75 5.57 -42.83 0 2 -1 40 191.231 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4260776; US4873259 IBM Patent Data

Activity (Go SEA)

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