UCSF

ZINC44471465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 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) 1.84 7.04 -53.92 2 4 1 46 277.388 4
Hi High (pH 8-9.5) 1.84 5.68 -12.3 1 4 0 42 276.38 4

Activity (Go SEA)

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