UCSF

ZINC22586253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 18 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) 0.98 4.59 -45.54 3 5 1 58 271.41 8
Hi High (pH 8-9.5) 0.98 2.36 -14.01 2 5 0 57 270.402 8
Mid Mid (pH 6-8) 0.79 2.66 -35.63 2 5 0 68 270.402 8
Mid Mid (pH 6-8) 1.54 3.07 -35.99 3 5 1 65 271.41 7

Activity (Go SEA)

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