UCSF

ZINC31962363

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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 4.92 -52.2 4 5 1 73 271.344 4
Mid Mid (pH 6-8) 1.39 4.61 -13.03 3 5 0 71 270.336 4

Activity (Go SEA)

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