UCSF

ZINC39687517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 34 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) 0.22 8.22 -100.19 4 9 2 109 468.602 4
Mid Mid (pH 6-8) 0.22 7.9 -61.85 3 9 1 108 467.594 4

Activity (Go SEA)

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