UCSF

ZINC69949499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) -0.60 -1 -41.36 4 6 1 94 231.301 2
Mid Mid (pH 6-8) -0.60 -1.41 -13.12 3 6 0 92 230.293 2
Lo Low (pH 4.5-6) -0.60 -0.97 -107.73 5 6 2 95 232.309 2

Activity (Go SEA)

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

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