UCSF

ZINC42206597

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 0.12 1.19 -37.06 3 5 1 55 232.348 10
Hi High (pH 8-9.5) 0.12 0.39 -40.82 3 5 1 58 232.348 10
Hi High (pH 8-9.5) 0.12 -0.98 -7.22 2 5 0 54 231.34 10
Lo Low (pH 4.5-6) 0.12 2.52 -112.46 4 5 2 59 233.356 10

Activity (Go SEA)

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