UCSF

ZINC39684939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 0.36 7.6 -71.68 3 9 1 115 489.6 5
Lo Low (pH 4.5-6) 0.36 8.15 -119.25 4 9 2 116 490.608 5

Activity (Go SEA)

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