UCSF

ZINC14210883

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 41 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) -1.29 10.42 -152.48 0 15 -2 188 581.482 8
Lo Low (pH 4.5-6) -1.29 10.59 -149.75 1 15 -1 189 582.49 8

Activity (Go SEA)

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

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