UCSF

ZINC24037828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 26 No

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) 3.08 11.94 -14.85 3 9 0 109 354.418 7
Lo Low (pH 4.5-6) 3.08 12.34 -33.54 4 9 1 110 355.426 7
Lo Low (pH 4.5-6) 3.08 12.46 -24.32 4 9 1 110 355.426 7

Activity (Go SEA)

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