UCSF

ZINC20998944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 3.34 9.21 -38.37 1 4 1 26 335.512 8
Mid Mid (pH 6-8) 3.34 9.5 -44.15 1 4 1 26 335.512 8

Activity (Go SEA)

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