UCSF

ZINC15072476

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 25 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) 2.80 7.91 -45.05 1 4 0 44 345.531 8
Mid Mid (pH 6-8) 2.80 7.36 -41.22 2 4 1 41 346.539 8
Lo Low (pH 4.5-6) 2.80 9.95 -182.44 4 4 3 43 348.555 8
Lo Low (pH 4.5-6) 2.80 9.7 -104.32 3 4 2 42 347.547 8
Lo Low (pH 4.5-6) 2.80 7.71 -82.33 3 4 2 42 347.547 8

Activity (Go SEA)

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