UCSF

ZINC42423021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 19 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) 3.34 9.2 -54.77 0 4 -1 53 262.329 5
Lo Low (pH 4.5-6) 3.34 9.02 -35.39 1 4 0 54 263.337 5

Activity (Go SEA)

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