UCSF

ZINC11819765

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 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) 2.97 7.08 -11.78 2 6 0 78 353.401 3
Ref Reference (pH 7) 2.97 7.4 -13.62 2 6 0 78 353.401 3
Mid Mid (pH 6-8) 2.97 7.44 -12.35 2 6 0 78 353.401 3
Mid Mid (pH 6-8) 2.97 6.93 -10.39 2 6 0 78 353.401 3

Activity (Go SEA)

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

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