UCSF

ZINC20188952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.73 7.55 -34.5 2 2 1 16 251.369 4
Mid Mid (pH 6-8) 2.73 6.58 -44.31 2 2 1 20 251.369 4

Activity (Go SEA)

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