UCSF

ZINC54930976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 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) 2.77 5.41 -9.88 2 3 0 52 211.268 0
Mid Mid (pH 6-8) 2.77 5.55 -24.94 3 3 1 53 212.276 0
Mid Mid (pH 6-8) 2.77 5.56 -29.31 3 3 1 53 212.276 0

Activity (Go SEA)

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

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