UCSF

ZINC58006127

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 27 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) 0.65 0.13 -16.42 2 9 0 114 397.453 6
Hi High (pH 8-9.5) 0.84 -2.52 -47.2 1 9 -1 120 396.445 6

Activity (Go SEA)

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

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