UCSF

ZINC31933627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 1.39 5.46 -52.64 3 5 1 72 320.438 5
Mid Mid (pH 6-8) 1.39 3.97 -14.27 2 5 0 67 319.43 5

Activity (Go SEA)

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