UCSF

ZINC25148486

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 34 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) 2.77 7.28 -19.2 1 9 0 88 483.539 6
Mid Mid (pH 6-8) 2.77 8.96 -60.68 2 9 1 89 484.547 6

Activity (Go SEA)

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