UCSF

ZINC57353392

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 21 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) 4.70 9.77 -5.39 1 3 0 32 308.853 4
Lo Low (pH 4.5-6) 4.70 9.98 -38.92 2 3 1 34 309.861 4

Activity (Go SEA)

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