UCSF

ZINC39261033

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 29 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) 7.02 16.77 -9.39 0 2 0 18 418.993 6
Lo Low (pH 4.5-6) 7.02 17.22 -31.64 1 2 1 19 420.001 6

Activity (Go SEA)

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