UCSF

ZINC03133219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 21 Yes

Other Names:

MFCD00231857

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) 3.30 2.06 -12.49 0 3 0 29 283.302 3

Vendor Notes

Note Type Comments Provided By
melting_point 200 - 202 KeyOrganics
PUBCHEM_PATENT_ID EP0329691A1; EP0329691B1; US4737511 IBM Patent Data

Activity (Go SEA)

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