UCSF

ZINC28230166

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 22 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) 3.59 8.95 -42.29 2 3 1 26 295.406 2
Mid Mid (pH 6-8) 3.59 7.54 -40.34 2 3 1 29 295.406 2

Activity (Go SEA)

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