UCSF

ZINC43978304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.38 9.02 -82.8 3 3 2 24 297.531 6
Hi High (pH 8-9.5) 3.38 8.67 -114.71 3 3 2 24 297.531 6
Lo Low (pH 4.5-6) 3.38 10.94 -200.99 4 3 3 25 298.539 6

Activity (Go SEA)

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