UCSF

ZINC19919833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 2.62 6.73 -5.06 1 2 0 25 226.323 5
Mid Mid (pH 6-8) 2.62 7.96 -45.75 2 2 1 29 227.331 5

Activity (Go SEA)

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