UCSF

ZINC17995673

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 25 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) 4.71 11.2 -10.01 1 5 0 65 357.793 5
Mid Mid (pH 6-8) 3.96 9.87 -44.92 0 5 -1 71 356.785 4
Mid Mid (pH 6-8) 3.96 9.62 -43.13 0 5 -1 71 356.785 4
Mid Mid (pH 6-8) 3.96 9.94 -45.13 0 5 -1 71 356.785 4

Activity (Go SEA)

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

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