UCSF

ZINC20239237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 5.30 12.47 -10.63 0 4 0 36 466.05 5
Mid Mid (pH 6-8) 5.30 14.75 -52.01 1 4 1 38 467.058 5

Activity (Go SEA)

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