UCSF

ZINC16676954

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.07 10.99 -8.52 1 4 0 45 431.38 5
Lo Low (pH 4.5-6) 5.07 11.31 -36.22 2 4 1 46 432.388 5

Activity (Go SEA)

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