UCSF

ZINC39260532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 5.62 14.36 -12.53 1 5 0 60 485.012 7
Lo Low (pH 4.5-6) 5.62 14.85 -38.76 2 5 1 61 486.02 7

Activity (Go SEA)

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