UCSF

ZINC25337426

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 28 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) 1.96 8.98 -121.28 2 6 2 69 402.564 5
Hi High (pH 8-9.5) 1.96 6.24 -13.39 0 6 0 66 400.548 5
Mid Mid (pH 6-8) 1.96 6.62 -41.49 1 6 1 68 401.556 5

Activity (Go SEA)

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