UCSF

ZINC25446303

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 2.08 6.27 -27.31 2 8 0 89 469.582 12
Lo Low (pH 4.5-6) 2.08 8.36 -67.89 3 8 1 90 470.59 12

Activity (Go SEA)

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