UCSF

ZINC25562177

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 29 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) 4.01 7.55 -45.99 1 6 -1 90 450.924 6
Hi High (pH 8-9.5) 4.07 6.63 -92.73 0 6 -2 97 449.916 6
Mid Mid (pH 6-8) 4.01 7.48 -18.68 2 6 0 88 451.932 6

Activity (Go SEA)

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