UCSF

ZINC05763726

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 18 Yes

Other Names:

MFCD03305672

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) 0.74 4.41 -15.37 1 7 0 82 246.205 2

Vendor Notes

Note Type Comments Provided By
melting_point 252 - 254 KeyOrganics

Activity (Go SEA)

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

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