UCSF

ZINC62878007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.69 11.2 -104.87 2 4 1 49 297.463 6
Hi High (pH 8-9.5) 2.69 9.34 -68.24 1 4 0 48 296.455 6
Mid Mid (pH 6-8) 2.69 8.93 -48.84 1 4 0 48 296.455 6

Activity (Go SEA)

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

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