UCSF

ZINC00133694

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Other Names:

MFCD00204504

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) 0.75 4.98 -8.79 1 3 0 38 175.187 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0214009A2; WO2000053581A2 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.