UCSF

ZINC44974129

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 30 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) 6.54 12.48 -6.35 1 3 0 28 461.403 4
Lo Low (pH 4.5-6) 6.54 14.35 -42.77 2 3 1 29 462.411 4

Activity (Go SEA)

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