UCSF

ZINC39267593

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) 1.79 6.45 -13.11 4 9 0 115 398.467 6
Lo Low (pH 4.5-6) 1.79 6.85 -38.26 5 9 1 116 399.475 6

Activity (Go SEA)

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