UCSF

ZINC59950106

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 30 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) 1.57 12.54 -123.58 1 6 -2 109 401.418 8
Lo Low (pH 4.5-6) 1.57 10.63 -57.09 2 6 -1 107 402.426 8
Lo Low (pH 4.5-6) 1.57 10.6 -49.82 2 6 -1 107 402.426 8

Activity (Go SEA)

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