UCSF

ZINC38789192

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 21 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) 5.65 13.43 -93.53 0 4 -2 80 298.423 15
Lo Low (pH 4.5-6) 5.65 11.46 -49.19 1 4 -1 77 299.431 15

Activity (Go SEA)

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