UCSF

ZINC39767283

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 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) 5.54 11.91 -54.99 3 6 1 80 513.083 7
Mid Mid (pH 6-8) 5.54 11.97 -80.15 2 6 0 82 512.075 7

Activity (Go SEA)

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