UCSF

ZINC34828527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 5.80 15.38 -54.22 2 4 1 47 477.987 10
Hi High (pH 8-9.5) 5.80 12.65 -10.92 1 4 0 45 476.979 10

Activity (Go SEA)

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