UCSF

ZINC01385014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Other Names:

MFCD00243864

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) 3.95 10.84 -15.68 0 5 0 58 368.216 5

Vendor Notes

Note Type Comments Provided By
melting_point 127 - 129 KeyOrganics
PUBCHEM_PATENT_ID US4734423 IBM Patent Data

Activity (Go SEA)

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