UCSF

ZINC37055181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.57 -0.76 -53.89 3 8 -1 139 301.3 8
Hi High (pH 8-9.5) -0.57 -0.73 -117.33 2 8 -2 141 300.292 8

Activity (Go SEA)

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