UCSF

ZINC42439360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.55 0.4 -45.11 4 6 1 83 283.396 5
Hi High (pH 8-9.5) -0.55 -0.94 -12.51 3 6 0 79 282.388 5

Activity (Go SEA)

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