UCSF

ZINC20544433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 17 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) 4.18 6.98 -42.39 3 2 1 37 236.379 8
Hi High (pH 8-9.5) 4.18 7.77 -54.03 2 2 0 40 235.371 8

Activity (Go SEA)

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