UCSF

ZINC29453918

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 25 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) 2.15 6.47 -21.33 1 5 0 76 354.431 5
Lo Low (pH 4.5-6) 2.15 6.8 -51.72 2 5 1 77 355.439 5

Activity (Go SEA)

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