UCSF

ZINC50661818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 21 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) 0.20 0.12 -13.32 3 8 0 113 313.383 6
Hi High (pH 8-9.5) 0.20 -0.1 -47.67 2 8 -1 115 312.375 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.