UCSF

ZINC34667805

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 5.77 12.46 -46.8 3 7 1 79 513.449 5
Mid Mid (pH 6-8) 5.77 12.11 -15.82 2 7 0 78 512.441 5

Activity (Go SEA)

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