UCSF

ZINC52106379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 14 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) 3.27 9.12 -37.34 1 1 1 4 210.728 4
Hi High (pH 8-9.5) 3.27 6.78 -2.15 0 1 0 3 209.72 4

Activity (Go SEA)

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