UCSF

ZINC42451080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.60 4.75 -43.49 2 3 1 44 196.318 8
Lo Low (pH 4.5-6) 0.60 6.88 -116.72 3 3 2 45 197.326 8

Activity (Go SEA)

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