UCSF

ZINC14738065

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2008 20 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) 4.62 10.24 -6.62 0 3 0 27 286.762 3
Lo Low (pH 4.5-6) 4.62 10.68 -28.22 1 3 1 28 287.77 3

Activity (Go SEA)

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