UCSF

ZINC42521376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.66 1.16 -17.75 3 5 0 89 294.307 4
Mid Mid (pH 6-8) 1.66 1.28 -50.96 2 5 -1 91 293.299 4

Activity (Go SEA)

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