UCSF

ZINC37719698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 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) 3.74 10.84 -13.55 2 3 0 44 269.323 4
Mid Mid (pH 6-8) 3.74 11.31 -31.69 3 3 1 45 270.331 4

Activity (Go SEA)

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

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