UCSF

ZINC41668371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 5.23 9.96 -10.8 0 4 0 43 403.865 3
Lo Low (pH 4.5-6) 5.23 12.81 -54.76 1 4 1 44 404.873 3

Activity (Go SEA)

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