UCSF

ZINC41754448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 2.39 8.19 -46.67 1 3 -1 52 248.346 6
Lo Low (pH 4.5-6) 2.39 8.33 -30.2 2 3 0 57 249.354 6

Activity (Go SEA)

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