UCSF

ZINC00539371

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 No

Other Names:

MFCD00794542

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) 3.66 -0.13 -14.29 3 3 0 55 296.345 3

Vendor Notes

Note Type Comments Provided By
melting_point 229 - 231 KeyOrganics

Activity (Go SEA)

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