UCSF

ZINC05518522

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 16 Yes

Other Names:

MFCD00975035

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) 3.31 1.84 -10.45 0 3 0 39 209.204 0

Vendor Notes

Note Type Comments Provided By
melting_point 140 - 142 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.