UCSF

ZINC39748839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 2.28 11.22 -19.38 1 7 0 86 400.533 7
Hi High (pH 8-9.5) 2.46 9.68 -51.25 0 7 -1 92 399.525 7

Activity (Go SEA)

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