UCSF

ZINC12501053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 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) -2.77 -1.82 -57.83 7 11 0 187 384.418 7
Lo Low (pH 4.5-6) -2.77 -1.55 -81.56 8 11 1 188 385.426 7
Lo Low (pH 4.5-6) -2.77 -5.93 -79.74 8 11 1 188 385.426 7

Activity (Go SEA)

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