UCSF

ZINC54968233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 No

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) 0.96 3.48 -54.7 0 6 -1 90 289.358 3
Lo Low (pH 4.5-6) 0.96 3.81 -50 1 6 0 92 290.366 3

Activity (Go SEA)

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

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