UCSF

ZINC34667445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 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) 6.68 14.86 -14.68 1 4 0 42 488.647 10
Mid Mid (pH 6-8) 6.68 16.79 -42.29 2 4 1 43 489.655 10

Activity (Go SEA)

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