UCSF

ZINC20554766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 20 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) 2.56 9.26 -35.84 3 2 1 30 275.46 5
Mid Mid (pH 6-8) 2.56 9.52 -130.49 4 2 2 32 276.468 5

Activity (Go SEA)

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