UCSF

ZINC40147295

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 No

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) 6.37 14.48 -15.41 1 7 0 98 518.635 12
Hi High (pH 8-9.5) 6.55 12.91 -46.74 0 7 -1 104 517.627 12

Activity (Go SEA)

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