UCSF

ZINC05517668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 20 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) 2.46 6.92 -37.46 2 5 1 57 264.312 2
Hi High (pH 8-9.5) 2.46 6.48 -11.53 1 5 0 55 263.304 2

Activity (Go SEA)

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

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