UCSF

ZINC31092565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.00 6.93 -16.91 1 5 0 60 320.348 2
Lo Low (pH 4.5-6) 3.00 7.33 -46.41 2 5 1 62 321.356 2

Activity (Go SEA)

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