UCSF

ZINC39912455

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 7.04 13.09 -11.72 2 6 0 78 516.041 8
Hi High (pH 8-9.5) 6.81 13.65 -46.39 0 6 -1 77 515.033 8
Hi High (pH 8-9.5) 6.81 13.44 -55.46 0 6 -1 77 515.033 8
Hi High (pH 8-9.5) 7.04 14.21 -40.32 1 6 -1 81 515.033 8

Activity (Go SEA)

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