UCSF

ZINC52815794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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) 0.09 2.39 -9.95 3 6 0 88 221.264 5
Mid Mid (pH 6-8) 0.09 2.52 -31.88 4 6 1 89 222.272 5
Mid Mid (pH 6-8) 0.09 2.55 -35.82 4 6 1 89 222.272 5

Activity (Go SEA)

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

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