UCSF

ZINC20547961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.11 2.32 -7.45 2 5 0 67 317.842 4
Mid Mid (pH 6-8) 2.11 4.52 -45.23 3 5 1 68 318.85 4

Activity (Go SEA)

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