UCSF

ZINC54894768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) 0.92 5.88 -46.96 3 3 1 44 284.474 1
Hi High (pH 8-9.5) 0.92 5.56 -5.78 2 3 0 42 283.466 1
Mid Mid (pH 6-8) 0.92 6.27 -100.04 4 3 2 45 285.482 1

Activity (Go SEA)

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

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