UCSF

ZINC71792711

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2012 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.78 7.09 -47.54 1 4 -1 69 236.291 4
Lo Low (pH 4.5-6) 1.78 4.06 -11.37 2 4 0 66 237.299 4

Activity (Go SEA)

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