UCSF

ZINC54670083

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 18 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) 1.32 8.35 -15.16 1 6 0 72 262.704 4
Hi High (pH 8-9.5) 1.32 7.85 -43.43 0 6 -1 71 261.696 4

Activity (Go SEA)

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

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