UCSF

ZINC57876042

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 27 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) 4.77 11.03 -13.88 0 4 0 45 378.907 4
Lo Low (pH 4.5-6) 4.77 11.87 -36.52 1 4 1 46 379.915 4

Activity (Go SEA)

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