UCSF

ZINC43426213

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.01 3.21 -10.98 0 5 0 50 266.341 2
Lo Low (pH 4.5-6) -0.01 5.4 -44.4 1 5 1 51 267.349 2

Activity (Go SEA)

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