UCSF

ZINC20278676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 2.48 5.78 -27.17 4 3 1 52 206.313 2
Mid Mid (pH 6-8) 2.48 5.44 -6.23 3 3 0 51 205.305 2

Activity (Go SEA)

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