UCSF

ZINC22013758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.56 -2.72 -179.47 1 8 -3 149 281.225 3
Mid Mid (pH 6-8) -2.02 -2.79 -116.24 2 8 -2 146 282.233 3

Activity (Go SEA)

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