UCSF

ZINC22721004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 2.78 8 -24.41 3 10 0 126 450.48 5
Ref Reference (pH 7) 3.69 7.55 -49.67 1 10 -1 127 449.472 6
Mid Mid (pH 6-8) 2.78 8 -38.59 3 10 0 126 450.48 5
Mid Mid (pH 6-8) 2.78 7.84 -53.03 2 10 -1 125 449.472 5

Activity (Go SEA)

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

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