UCSF

ZINC43973606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.54 7.77 -33.35 2 3 1 26 279.448 8
Mid Mid (pH 6-8) 3.54 8.78 -114.57 3 3 2 30 280.456 8

Activity (Go SEA)

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