UCSF

ZINC20126987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.05 6.2 -40.26 2 3 1 33 259.373 5
Mid Mid (pH 6-8) 3.05 8.72 -117.93 3 3 2 34 260.381 5
Mid Mid (pH 6-8) 3.05 7.44 -38.05 2 3 1 30 259.373 5

Activity (Go SEA)

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

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