UCSF

ZINC42519034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.26 3.17 -44.51 3 5 1 58 227.332 5
Hi High (pH 8-9.5) 0.26 2.78 -5.03 2 5 0 56 226.324 5
Hi High (pH 8-9.5) 0.26 2.91 -23.92 3 5 1 58 227.332 5
Lo Low (pH 4.5-6) 0.26 3.31 -98.06 4 5 2 59 228.34 5

Activity (Go SEA)

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