UCSF

ZINC39763769

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 28 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) 1.75 6.89 -13.24 1 8 0 85 424.596 8
Lo Low (pH 4.5-6) 1.75 9.14 -48.66 2 8 1 86 425.604 8

Activity (Go SEA)

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