UCSF

ZINC09163114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 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) -2.37 2.88 -71.87 4 12 -1 187 452.45 5
Lo Low (pH 4.5-6) -2.37 2.97 -82.98 5 12 0 189 453.458 5

Activity (Go SEA)

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