UCSF

ZINC20857527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 3.12 11.07 -45.04 1 3 1 22 272.416 4
Mid Mid (pH 6-8) 3.12 11.48 -87.77 2 3 2 24 273.424 4

Activity (Go SEA)

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