UCSF

ZINC48606642

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 3.98 7.68 -11.86 1 3 0 46 290.775 2
Hi High (pH 8-9.5) 4.43 5.2 -49.87 0 3 -1 49 289.767 2

Activity (Go SEA)

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