UCSF

ZINC05252476

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 21 Yes

Other Names:

MFCD00215702

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) 2.53 0.81 -11.67 0 5 0 56 297.749 4

Vendor Notes

Note Type Comments Provided By
melting_point 112 - 116 KeyOrganics

Activity (Go SEA)

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

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