UCSF

ZINC53651629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.92 6.01 -31.71 2 3 1 33 248.394 5
Mid Mid (pH 6-8) 1.92 7.93 -105.06 3 3 2 34 249.402 5
Mid Mid (pH 6-8) 1.92 6.78 -90.05 3 3 2 34 249.402 5

Activity (Go SEA)

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