UCSF

ZINC23640422

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 23 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) 2.79 5.15 -8.9 1 5 0 53 357.907 5
Lo Low (pH 4.5-6) 2.79 7.36 -50.41 2 5 1 54 358.915 5

Activity (Go SEA)

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