UCSF

ZINC25497168

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 6.57 14.45 -11.59 2 4 0 58 401.897 5
Hi High (pH 8-9.5) 7.03 12.86 -50.47 1 4 -1 61 400.889 5

Activity (Go SEA)

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