UCSF

ZINC22931332

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 3.56 8.77 -30.07 1 2 1 8 259.417 3
Hi High (pH 8-9.5) 3.56 6.74 -2.37 0 2 0 6 258.409 3
Mid Mid (pH 6-8) 3.56 8.91 -31.67 1 2 1 8 259.417 3

Activity (Go SEA)

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