UCSF

ZINC39646259

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 Yes

Other Names:

MFCD06799098

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) 0.96 2.15 -5.59 1 3 0 47 158.197 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0933993A1 IBM Patent Data

Activity (Go SEA)

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