UCSF

ZINC41361849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 24 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) 1.60 7.02 -41.01 2 6 1 54 330.456 6
Hi High (pH 8-9.5) 1.60 6.9 -42.34 2 6 1 54 330.456 6
Hi High (pH 8-9.5) 1.60 4.65 -11.2 1 6 0 53 329.448 6
Lo Low (pH 4.5-6) 1.60 7.52 -72.15 3 6 2 55 331.464 6

Activity (Go SEA)

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