UCSF

ZINC22578882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 16 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) 2.91 8.85 -99.38 2 2 2 9 224.392 1
Hi High (pH 8-9.5) 2.91 5.39 -0.08 0 2 0 6 222.376 1
Mid Mid (pH 6-8) 2.91 6.47 -33.72 1 2 1 8 223.384 1

Activity (Go SEA)

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