UCSF

ZINC39301463

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) 4.39 10.87 -12.94 3 7 0 88 391.475 9
Lo Low (pH 4.5-6) 4.39 11.22 -39.04 4 7 1 89 392.483 9

Activity (Go SEA)

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