UCSF

ZINC39548139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 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) 3.12 11.01 -23.74 1 8 0 88 469.471 6
Lo Low (pH 4.5-6) 3.12 11.38 -48.05 2 8 1 90 470.479 6

Activity (Go SEA)

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