UCSF

ZINC01384856

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 No

Other Names:

MFCD00139612

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) 4.04 5.77 -9.73 1 4 0 50 277.736 2
Ref Reference (pH 7) 4.04 5.83 -9.2 1 4 0 50 277.736 2

Vendor Notes

Note Type Comments Provided By
melting_point 226 - 228 KeyOrganics

Activity (Go SEA)

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

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