UCSF

ZINC69844739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) -0.08 -0.38 -8.15 3 5 0 85 202.217 2
Mid Mid (pH 6-8) -0.08 0.09 -33.3 4 5 1 86 203.225 2

Activity (Go SEA)

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

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