UCSF

ZINC49235908

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 16 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) 0.45 6.57 -38.39 2 5 1 57 218.284 4
Mid Mid (pH 6-8) 0.45 6.05 -14.95 1 5 0 56 217.276 4
Lo Low (pH 4.5-6) 0.45 6.74 -86.34 3 5 2 58 219.292 4

Activity (Go SEA)

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

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