UCSF

ZINC20270277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 0.96 5.09 -81.12 3 3 2 24 215.385 7
Lo Low (pH 4.5-6) 0.96 7.4 -178.77 4 3 3 25 216.393 7
Lo Low (pH 4.5-6) 0.96 6 -86.94 3 3 2 21 215.385 7

Activity (Go SEA)

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