UCSF

ZINC22386631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 22 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) 3.52 5.48 -15.89 2 5 0 65 297.358 3
Hi High (pH 8-9.5) 3.52 6.51 -58.22 1 5 -1 68 296.35 3
Mid Mid (pH 6-8) 3.52 5.69 -39.92 3 5 1 67 298.366 3

Activity (Go SEA)

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