UCSF

ZINC42451539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.16 3.24 -6.39 1 4 0 46 270.76 3
Lo Low (pH 4.5-6) 2.16 3.7 -31.52 2 4 1 47 271.768 3

Activity (Go SEA)

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