UCSF

ZINC66991523

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 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) 2.72 9.97 -40.96 2 3 1 34 280.395 5
Mid Mid (pH 6-8) 2.72 9.2 -29.28 2 3 1 31 280.395 5
Mid Mid (pH 6-8) 2.72 8.77 -8.22 1 3 0 30 279.387 5

Activity (Go SEA)

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

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