UCSF

ZINC20873086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 20 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) 1.32 4.01 -39.85 4 5 1 69 345.261 9
Mid Mid (pH 6-8) 1.32 2.96 -42.71 4 5 1 72 345.261 9

Activity (Go SEA)

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