UCSF

ZINC37140938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.22 6.01 -33.48 3 4 1 46 351.268 3
Lo Low (pH 4.5-6) 2.22 7.13 -92.39 4 4 2 50 352.276 3
Lo Low (pH 4.5-6) 2.22 4.92 -30.82 3 4 1 49 351.268 3

Activity (Go SEA)

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