UCSF

ZINC05382414

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 16 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) -0.79 -1.33 -96.45 1 7 -2 126 228.156 4

Activity (Go SEA)

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