UCSF

ZINC42811437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.79 1.47 -9.53 3 5 0 77 249.314 3
Lo Low (pH 4.5-6) 0.79 1.87 -33.28 4 5 1 78 250.322 3

Activity (Go SEA)

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