UCSF

ZINC17976308

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 No

Other Names:

MFCD01798811

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) 3.52 13.02 -12.92 0 6 0 81 403.434 6
Ref Reference (pH 7) 3.52 12.97 -11.41 0 6 0 81 403.434 6

Activity (Go SEA)

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

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