UCSF

ZINC40046761

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 25 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) 0.26 3.21 -62.74 1 7 -1 107 341.343 6
Lo Low (pH 4.5-6) 0.26 2.46 -15.7 2 7 0 104 342.351 6
Lo Low (pH 4.5-6) 0.26 2.92 -47.27 3 7 1 105 343.359 6

Activity (Go SEA)

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