UCSF

ZINC67446548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 22 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) 0.54 5.98 -33.79 2 6 1 64 300.386 5
Mid Mid (pH 6-8) 0.54 7.78 -56.56 2 6 1 64 300.386 5
Mid Mid (pH 6-8) 0.54 8.23 -95.09 3 6 2 65 301.394 5
Mid Mid (pH 6-8) 0.54 5.52 -18.79 1 6 0 63 299.378 5

Activity (Go SEA)

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

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