UCSF

ZINC54928157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 Yes

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) 3.26 6.21 -6.22 1 3 0 36 359.314 3
Lo Low (pH 4.5-6) 3.26 6.55 -28.95 2 3 1 38 360.322 3

Activity (Go SEA)

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

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