UCSF

ZINC06737563

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 18 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) 3.44 7 -6.9 3 3 0 55 235.29 2
Lo Low (pH 4.5-6) 3.44 7.15 -35.33 4 3 1 56 236.298 2

Activity (Go SEA)

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