UCSF

ZINC25498490

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 4.68 9.96 -16.16 1 3 0 46 318.42 4
Hi High (pH 8-9.5) 5.14 8.93 -52.19 0 3 -1 49 317.412 4

Activity (Go SEA)

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