UCSF

ZINC26896609

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 0.80 3.72 -44.36 2 4 1 46 227.328 3
Lo Low (pH 4.5-6) 0.80 5.95 -110.21 3 4 2 47 228.336 3

Activity (Go SEA)

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