UCSF

ZINC39869911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.36 9.37 -57.83 2 6 -1 100 457.318 5
Mid Mid (pH 6-8) 5.36 10.01 -20.36 3 6 0 98 458.326 5

Activity (Go SEA)

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