UCSF

ZINC39327475

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 4.33 6.85 -10.53 3 6 0 90 424.913 4
Lo Low (pH 4.5-6) 4.33 7.18 -32.88 4 6 1 91 425.921 4

Activity (Go SEA)

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