UCSF

ZINC26407740

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 27 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) 2.45 8.54 -57.31 2 7 1 76 378.493 7
Hi High (pH 8-9.5) 2.45 6.44 -16.29 1 7 0 75 377.485 7

Activity (Go SEA)

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