UCSF

ZINC15772543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 36 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) 6.88 11.92 -16.4 0 6 0 62 480.564 9
Lo Low (pH 4.5-6) 6.88 11.49 -39.98 1 6 1 63 481.572 9
Lo Low (pH 4.5-6) 6.88 11.54 -44.75 1 6 1 63 481.572 9
Lo Low (pH 4.5-6) 6.88 12.27 -42.37 1 6 1 63 481.572 9

Activity (Go SEA)

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