UCSF

ZINC10020917

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 31 Yes

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) 5.98 0.44 -16.65 0 4 0 46 443.959 4
Lo Low (pH 4.5-6) 5.98 0.55 -44.23 1 4 1 47 444.967 4

Activity (Go SEA)

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