UCSF

ZINC69676656

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 16 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) 2.59 6.5 -27.56 2 3 1 39 220.34 2
Mid Mid (pH 6-8) 2.59 6.39 -6.82 1 3 0 38 219.332 2
Mid Mid (pH 6-8) 2.59 6.56 -27.03 2 3 1 39 220.34 2

Activity (Go SEA)

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

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