UCSF

ZINC58003234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 21 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) 3.12 9.33 -82.19 3 4 2 43 286.423 5
Mid Mid (pH 6-8) 3.12 9.35 -75.56 3 4 2 43 286.423 5
Mid Mid (pH 6-8) 3.12 9.23 -41.82 2 4 1 42 285.415 5

Activity (Go SEA)

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

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