UCSF

ZINC60054600

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 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) 0.57 7.94 -35.67 2 5 0 83 271.357 6
Hi High (pH 8-9.5) 0.57 6.88 -46.14 1 5 -1 78 270.349 6

Activity (Go SEA)

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