UCSF

ZINC00893138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 Yes

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) 2.38 -4.08 -13.48 0 5 0 57 364.854 3

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 162 KeyOrganics

Activity (Go SEA)

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