UCSF

ZINC36667891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 0.62 6.45 -106.42 3 4 2 47 218.341 10
Mid Mid (pH 6-8) 0.62 5.08 -35.63 2 4 1 43 217.333 10
Mid Mid (pH 6-8) 0.62 4.32 -44.42 2 4 1 46 217.333 10

Activity (Go SEA)

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