UCSF

ZINC36272912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.42 8.98 -8.69 2 4 0 47 352.869 7
Mid Mid (pH 6-8) 4.42 10.74 -40.2 3 4 1 48 353.877 7
Lo Low (pH 4.5-6) 4.42 9.45 -26.52 3 4 1 48 353.877 7
Lo Low (pH 4.5-6) 4.42 11.05 -92.7 4 4 2 49 354.885 7

Activity (Go SEA)

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