UCSF

ZINC25080895

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 4.37 13.97 -52.39 2 6 1 60 455.582 8
Mid Mid (pH 6-8) 4.37 14.39 -78.97 3 6 2 61 456.59 8

Activity (Go SEA)

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