UCSF

ZINC56897533

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 34 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) 5.16 12.09 -40.09 2 5 1 40 480.076 4
Hi High (pH 8-9.5) 5.16 9.84 -7.69 1 5 0 39 479.068 4

Activity (Go SEA)

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

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