UCSF

ZINC50065483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) -0.08 5.86 -44.95 1 5 1 51 229.3 7
Hi High (pH 8-9.5) -0.08 3.59 -15.18 0 5 0 50 228.292 7

Activity (Go SEA)

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

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