UCSF

ZINC31961694

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) -0.46 -0.36 -52.23 2 8 -1 109 321.357 7
Mid Mid (pH 6-8) -0.46 1.99 -74.23 3 8 0 110 322.365 7
Mid Mid (pH 6-8) -0.46 -0.07 -65.44 3 8 0 110 322.365 7

Activity (Go SEA)

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