UCSF

ZINC18106598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

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) 2.64 7.47 -13.87 0 6 0 53 399.878 4
Ref Reference (pH 7) 2.64 7.76 -12.68 0 6 0 53 399.878 4
Mid Mid (pH 6-8) 2.64 9.92 -55.5 1 6 1 54 400.886 4

Activity (Go SEA)

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