UCSF

ZINC01872695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 Yes

Other Names:

MFCD00218284

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) 4.41 9.99 -5.77 0 1 0 5 209.292 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4257954; US4494989 IBM Patent Data

Activity (Go SEA)

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