UCSF

ZINC57531477

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 32 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) 2.78 8.78 -20.36 2 7 0 84 426.476 6
Lo Low (pH 4.5-6) 2.78 9.24 -47.47 3 7 1 85 427.484 6

Activity (Go SEA)

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