UCSF

ZINC70326206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 No

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) 2.44 5.77 -5.68 0 4 0 24 298.862 6
Mid Mid (pH 6-8) 2.44 7.85 -37.33 1 4 1 26 299.87 6
Mid Mid (pH 6-8) 2.44 7.86 -33.82 1 4 1 26 299.87 6

Activity (Go SEA)

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

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