UCSF

ZINC62915452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) -0.17 4 -68.73 2 5 0 77 226.276 2
Hi High (pH 8-9.5) -0.17 2.88 -54.88 1 5 -1 72 225.268 2

Activity (Go SEA)

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

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