UCSF

ZINC38789214

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 25 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) 7.93 16.82 -91.45 0 4 -2 80 354.531 20
Lo Low (pH 4.5-6) 7.93 14.85 -48.34 1 4 -1 77 355.539 20

Activity (Go SEA)

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