UCSF

ZINC20294879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 1.92 3.25 -45.25 4 5 1 80 266.365 2
Hi High (pH 8-9.5) 1.92 1.93 -16.58 3 5 0 75 265.357 2

Activity (Go SEA)

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