UCSF

ZINC42356136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 2.42 6.94 -38.07 2 3 1 34 224.372 6
Hi High (pH 8-9.5) 2.42 5.7 -5.25 1 3 0 30 223.364 6

Activity (Go SEA)

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