UCSF

ZINC59268652

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 11 Yes

Other Names:

MFCD00065690

NA

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) 0.77 -1.47 -50.27 1 5 -1 74 150.117 0
Hi High (pH 8-9.5) 0.77 -0.7 -108.06 0 5 -2 77 149.109 0

Activity (Go SEA)

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

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