UCSF

ZINC03128247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 23 Yes

Other Names:

MFCD00214975

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) 5.23 10.2 -10.01 0 3 0 46 324.742 3

Vendor Notes

Note Type Comments Provided By
melting_point 187 - 188 KeyOrganics

Activity (Go SEA)

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