UCSF

ZINC19636087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 18 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) 3.75 8.03 -32.1 1 2 1 8 255.47 6
Mid Mid (pH 6-8) 3.75 8.39 -33.87 1 2 1 8 255.47 6

Activity (Go SEA)

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