UCSF

ZINC31935411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.11 10.44 -62.08 3 3 1 45 320.46 3
Lo Low (pH 4.5-6) 4.11 10.87 -98.44 4 3 2 46 321.468 3

Activity (Go SEA)

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