UCSF

ZINC05320327

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 22 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) 4.79 12.6 -39.49 1 2 1 9 293.434 2
Hi High (pH 8-9.5) 4.79 10.37 -4.98 0 2 0 8 292.426 2

Activity (Go SEA)

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