UCSF

ZINC43973671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 30 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) 4.31 12.7 -49.67 2 5 1 48 404.534 7
Hi High (pH 8-9.5) 4.31 10.47 -11.67 1 5 0 47 403.526 7

Activity (Go SEA)

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