UCSF

ZINC01383920

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 30 No

Other Names:

MFCD02102624

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) 4.57 1.74 -8.5 0 4 0 46 415.876 3

Vendor Notes

Note Type Comments Provided By
melting_point 243 - 246 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.