UCSF

ZINC36698245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 34 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) 7.50 11.39 -14.91 1 6 0 81 514.072 6
Mid Mid (pH 6-8) 7.50 11.42 -49.68 0 6 -1 83 513.064 6

Activity (Go SEA)

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