UCSF

ZINC22027732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) 2.43 8.15 -99.66 2 2 2 9 198.354 4
Hi High (pH 8-9.5) 2.43 3.82 -0.61 0 2 0 6 196.338 4
Mid Mid (pH 6-8) 2.43 5.79 -32.48 1 2 1 8 197.346 4

Activity (Go SEA)

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