UCSF

ZINC20109217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.67 6.98 -11.7 2 8 0 87 464.566 9
Mid Mid (pH 6-8) 2.67 9.24 -44.35 3 8 1 88 465.574 9

Activity (Go SEA)

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