UCSF

ZINC62838343

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 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) 1.84 5.43 -54.35 5 4 1 69 325.219 4
Hi High (pH 8-9.5) 1.84 4.98 -7.49 4 4 0 67 324.211 4

Activity (Go SEA)

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

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