UCSF

ZINC41192959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.32 5.93 -38.49 2 4 1 48 291.396 5
Hi High (pH 8-9.5) 2.32 4.93 -6.69 1 4 0 43 290.388 5

Activity (Go SEA)

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