UCSF

ZINC19636395

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) 3.40 8.75 -37.67 1 2 1 8 249.422 8
Mid Mid (pH 6-8) 3.40 8.37 -34.46 1 2 1 8 249.422 8
Mid Mid (pH 6-8) 3.40 10.63 -111.36 2 2 2 9 250.43 8

Activity (Go SEA)

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