UCSF

ZINC31961095

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 1.56 4.8 -54.78 5 5 1 82 317.388 8
Mid Mid (pH 6-8) 1.56 5.27 -98.51 6 5 2 83 318.396 8

Activity (Go SEA)

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