UCSF

ZINC54935995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) 1.26 6.75 -38.3 2 4 1 42 247.366 3
Mid Mid (pH 6-8) 1.26 7.19 -76.85 3 4 2 43 248.374 3

Activity (Go SEA)

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

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