UCSF

ZINC13545428

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 Yes

Other Names:

MFCD00172041

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) -0.14 7.29 -20.95 2 8 0 115 293.29 3

Vendor Notes

Note Type Comments Provided By
melting_point 244 - 246 KeyOrganics

Activity (Go SEA)

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

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