UCSF

ZINC55326292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 28 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) 2.39 8.33 -11.59 0 7 0 69 378.432 7
Lo Low (pH 4.5-6) 2.39 8.79 -51.06 1 7 1 71 379.44 7

Activity (Go SEA)

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