UCSF

ZINC17107351

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 11 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) 0.01 1.01 -19.07 3 5 0 85 168.181 0
Mid Mid (pH 6-8) 0.47 -0.14 -47.08 2 5 -1 88 167.173 0

Activity (Go SEA)

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

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