UCSF

ZINC45795815

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 12 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) -0.72 0.27 -16.1 3 5 0 85 162.152 1
Hi High (pH 8-9.5) -0.72 -0.23 -49.1 2 5 -1 83 161.144 1

Activity (Go SEA)

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

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