UCSF

ZINC22996797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 14 Yes

Other Names:

MFCD11501857

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) 2.03 5.05 -12.38 1 3 0 32 190.246 1

Vendor Notes

Note Type Comments Provided By
melting_point 171 - 173 KeyOrganics

Activity (Go SEA)

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

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