UCSF

ZINC04962255

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 11 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) 1.90 -0.56 -6.9 2 3 0 49 152.197 0
Mid Mid (pH 6-8) 1.90 0.22 -55.49 1 3 -1 52 151.189 0

Activity (Go SEA)

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

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