UCSF

ZINC59816069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 12 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) -0.36 -7 -43.34 2 5 -1 85 175.139 0
Lo Low (pH 4.5-6) -0.55 -4.39 -8.97 3 5 0 78 176.147 0

Activity (Go SEA)

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

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