UCSF

ZINC01383360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 Yes

Other Names:

MFCD00243785

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) 5.96 0.61 -10.54 0 3 0 30 347.849 3

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics

Activity (Go SEA)

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