UCSF

ZINC52813064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 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) 1.43 6.31 -31.94 3 4 1 47 233.339 2
Hi High (pH 8-9.5) 1.43 3.94 -5.25 2 4 0 45 232.331 2
Mid Mid (pH 6-8) 1.43 6.78 -82.26 4 4 2 48 234.347 2

Activity (Go SEA)

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

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