UCSF

ZINC04475303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 29 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) 1.01 1.56 -18.58 3 11 0 159 419.419 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0708781A1 IBM Patent Data

Activity (Go SEA)

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