UCSF

ZINC19438666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 0.20 2.78 -14.72 3 6 0 90 273.292 5
Lo Low (pH 4.5-6) 0.20 3.21 -45.84 4 6 1 91 274.3 5

Activity (Go SEA)

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

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