UCSF

ZINC43258648

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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 5.72 -44.91 3 2 1 31 318.304 3
Hi High (pH 8-9.5) 3.38 6.91 -32.93 3 2 1 30 318.304 3
Hi High (pH 8-9.5) 3.38 5.39 -1.17 2 2 0 29 317.296 3
Lo Low (pH 4.5-6) 3.38 7.15 -118.77 4 2 2 32 319.312 3

Activity (Go SEA)

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