UCSF

ZINC39914057

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 3.39 5.61 -12.59 2 9 0 106 487.94 8
Mid Mid (pH 6-8) 3.39 6.37 -48.77 1 9 -1 109 486.932 8

Activity (Go SEA)

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