UCSF

ZINC04002039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 18 Yes

Other Names:

MFCD00202704

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) 0.54 -0.29 -11.81 1 6 0 84 291.35 4

Vendor Notes

Note Type Comments Provided By
melting_point 123 - 125 KeyOrganics

Activity (Go SEA)

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