UCSF

ZINC52907368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 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) 3.06 7.37 -10.9 1 4 0 49 313.426 4
Mid Mid (pH 6-8) 3.52 6.69 -43.59 1 4 0 53 313.426 4
Mid Mid (pH 6-8) 3.06 9.41 -47.63 2 4 1 50 314.434 4

Activity (Go SEA)

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

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