UCSF

ZINC39267594

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) 3.45 8.95 -13.95 4 8 0 105 398.511 6
Lo Low (pH 4.5-6) 3.45 9.36 -36.83 5 8 1 107 399.519 6

Activity (Go SEA)

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