UCSF

ZINC04052924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 No

Other Names:

MFCD00180839

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.32 10.61 -88.32 1 7 0 74 331.396 4

Vendor Notes

Note Type Comments Provided By
melting_point 228 - 231 KeyOrganics

Activity (Go SEA)

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

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