UCSF

ZINC44686878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 0.88 1.48 -41.51 4 5 1 77 288.418 4
Hi High (pH 8-9.5) 0.88 -0.9 -8.24 3 5 0 75 287.41 4
Hi High (pH 8-9.5) 0.88 1.31 -35.98 3 5 0 79 287.41 4
Lo Low (pH 4.5-6) 0.88 1.33 -102.72 5 5 2 78 289.426 4

Activity (Go SEA)

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