UCSF

ZINC37337549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 2.97 7.27 -10.83 1 3 0 46 277.323 1
Hi High (pH 8-9.5) 3.15 4.73 -46.37 0 3 -1 52 276.315 1

Activity (Go SEA)

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

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