UCSF

ZINC19719606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 20 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) 1.49 6.54 -13.51 1 5 0 56 276.384 7
Mid Mid (pH 6-8) 1.49 7.02 -41.47 2 5 1 57 277.392 7

Activity (Go SEA)

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

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