UCSF

ZINC44683878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.32 4.77 -38.26 3 4 1 46 342.257 5
Hi High (pH 8-9.5) 2.32 5.69 -64.19 2 4 0 49 341.249 5
Hi High (pH 8-9.5) 2.32 6.9 -124.23 3 4 1 53 342.257 5
Hi High (pH 8-9.5) 2.32 4.56 -61.95 2 4 0 52 341.249 5
Hi High (pH 8-9.5) 2.32 2.44 -5.54 2 4 0 45 341.249 5
Lo Low (pH 4.5-6) 2.32 3.64 -49.42 3 4 1 49 342.257 5

Activity (Go SEA)

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