UCSF

ZINC52635144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 16 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) 1.77 7.09 -31.47 1 3 1 25 227.372 4
Hi High (pH 8-9.5) 1.77 4.75 -8.01 0 3 0 24 226.364 4

Activity (Go SEA)

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