UCSF

ZINC52815798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) -0.04 3.78 -40.85 4 6 1 94 257.321 6
Mid Mid (pH 6-8) -0.04 3.66 -95.41 5 6 2 95 258.329 6
Mid Mid (pH 6-8) -0.04 3.95 -92.27 5 6 2 95 258.329 6

Activity (Go SEA)

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

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