UCSF

ZINC11616462

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 30 No

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) -0.57 -6.94 -71.06 3 11 -1 159 452.494 6
Lo Low (pH 4.5-6) -0.57 -6.84 -75.59 4 11 0 161 453.502 6

Activity (Go SEA)

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