UCSF

ZINC06567490

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 14 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) 2.78 3.68 -53.22 2 3 -1 66 226.664 1
Lo Low (pH 4.5-6) 2.78 5.01 -38 3 3 0 68 227.672 1

Activity (Go SEA)

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