UCSF

ZINC26896004

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 11 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) -1.01 -2.89 -11.25 5 5 0 90 156.189 2
Mid Mid (pH 6-8) -1.01 -2.79 -28.89 6 5 1 91 157.197 2

Activity (Go SEA)

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