UCSF

ZINC57990527

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 25 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) 3.30 9.8 -37.61 1 4 0 51 341.475 5
Hi High (pH 8-9.5) 3.30 7.66 -6.73 0 4 0 50 340.467 5
Hi High (pH 8-9.5) 3.30 7.69 -5.75 0 4 0 50 340.467 5
Mid Mid (pH 6-8) 3.30 9.76 -51.06 1 4 0 51 341.475 5

Activity (Go SEA)

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

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