UCSF

ZINC85343580

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2013 33 No

Other Names:

MFCD00056625

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) 4.55 5.56 -61.34 2 8 -1 120 493.005 8
Lo Low (pH 4.5-6) 4.92 7.5 -19.88 3 8 0 114 494.013 7

Activity (Go SEA)

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

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