UCSF

ZINC39230085

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 2.93 12.38 -32.54 1 5 1 51 391.539 3
Lo Low (pH 4.5-6) 2.93 13.24 -92.2 2 5 2 52 392.547 3

Activity (Go SEA)

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