UCSF

ZINC66666556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.19 5.08 -39.31 2 5 1 40 364.554 10
Hi High (pH 8-9.5) 2.19 2.75 -5.75 1 5 0 39 363.546 10
Mid Mid (pH 6-8) 2.19 7.36 -94.17 3 5 2 42 365.562 10

Activity (Go SEA)

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