UCSF

ZINC38789111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 26 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) 6.92 18.65 -53.11 0 2 -1 40 343.446 4
Lo Low (pH 4.5-6) 6.92 16.67 -15.23 1 2 0 37 344.454 4

Activity (Go SEA)

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