UCSF

ZINC63012202

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 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) 1.60 6.52 -106.52 4 4 2 54 271.364 2
Hi High (pH 8-9.5) 1.60 5.65 -8.45 2 4 0 51 269.348 2
Mid Mid (pH 6-8) 1.60 6.08 -55.21 3 4 1 53 270.356 2

Activity (Go SEA)

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

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