UCSF

ZINC39965121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 36 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) 5.33 12.12 -45.78 2 7 1 72 514.712 9
Mid Mid (pH 6-8) 5.33 9.85 -11.24 1 7 0 71 513.704 9
Mid Mid (pH 6-8) 5.33 12.05 -47.21 2 7 1 72 514.712 9

Activity (Go SEA)

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