UCSF

ZINC00549878

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 22 No

Other Names:

MFCD03299639

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) 2.32 8.95 -50.84 0 5 -1 78 318.736 2

Vendor Notes

Note Type Comments Provided By
melting_point 217 - 219 KeyOrganics

Activity (Go SEA)

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