UCSF

ZINC52422214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 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) 1.09 5.4 -87.17 3 3 2 24 213.369 5
Mid Mid (pH 6-8) 1.09 3.12 -33.15 2 3 1 23 212.361 5
Mid Mid (pH 6-8) 1.09 4.98 -110.43 3 3 2 24 213.369 5

Activity (Go SEA)

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

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