UCSF

ZINC20091992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 1.96 5.33 -129.28 5 5 2 70 290.411 5
Mid Mid (pH 6-8) 1.96 4.3 -42.25 4 5 1 65 289.403 5

Activity (Go SEA)

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