UCSF

ZINC31979070

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 29 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) 3.38 6.87 -14.77 2 7 0 97 411.483 6
Mid Mid (pH 6-8) 3.38 7.26 -42.09 3 7 1 99 412.491 6

Activity (Go SEA)

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