UCSF

ZINC62491452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 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) -0.27 2.09 -73.3 2 5 0 73 241.316 3
Hi High (pH 8-9.5) -0.27 0.75 -45.77 1 5 -1 68 240.308 3

Activity (Go SEA)

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

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