UCSF

ZINC64539168

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 43 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) 9.08 15.91 -32.82 4 4 1 61 572.817 8
Mid Mid (pH 6-8) 9.08 15.01 -5.05 3 4 0 57 571.809 8

Activity (Go SEA)

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

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