UCSF

ZINC52106381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.36 8.88 -28.87 1 1 1 4 228.718 4
Hi High (pH 8-9.5) 3.36 6.54 -2.89 0 1 0 3 227.71 4

Activity (Go SEA)

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