UCSF

ZINC72339194

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2012 10 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) 0.75 1.32 -47.83 3 5 -1 95 251.991 1
Mid Mid (pH 6-8) 0.75 1.3 -37.52 3 5 -1 95 251.991 1

Activity (Go SEA)

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

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