UCSF

ZINC41689715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 No

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) 0.19 7.78 -31.36 2 3 0 57 259.396 7
Hi High (pH 8-9.5) 0.19 6.77 -44.67 1 3 -1 52 258.388 7

Activity (Go SEA)

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