UCSF

ZINC05922918

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 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) 2.19 7.14 -45.99 1 5 -1 87 273.349 12
Lo Low (pH 4.5-6) 2.19 5.16 -9.31 2 5 0 84 274.357 12

Activity (Go SEA)

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