UCSF

ZINC01509381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Other Names:

MFCD00601189

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) -0.35 5.91 -47.25 0 3 -1 57 191.206 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4983751 IBM Patent Data

Activity (Go SEA)

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