UCSF

ZINC01054224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 19 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) 5.85 7.66 -7.78 1 2 0 33 379.468 2
Mid Mid (pH 6-8) 5.85 7.2 -29.39 0 2 -1 35 378.46 2
Mid Mid (pH 6-8) 5.85 8.43 -39 0 2 -1 35 378.46 2

Activity (Go SEA)

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

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