UCSF

ZINC19662728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 29 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) 2.07 8.72 -12.13 0 6 0 72 386.455 5
Lo Low (pH 4.5-6) 2.07 9.07 -50.47 1 6 1 73 387.463 5

Activity (Go SEA)

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