UCSF

ZINC62613464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 35 No

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) 4.67 11.6 -36.67 1 8 1 89 488.593 6
Mid Mid (pH 6-8) 4.67 9.49 -16.82 0 8 0 88 487.585 6

Activity (Go SEA)

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

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