UCSF

ZINC34445411

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 Yes

Other Names:

MFCD17014836

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) 3.02 5.98 -11.88 0 4 0 52 245.278 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0925063A1; WO1998000137A1 IBM Patent Data

Activity (Go SEA)

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