UCSF

ZINC65568517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 24 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) 2.52 6.59 -53.57 3 5 1 66 350.508 8
Hi High (pH 8-9.5) 2.52 5.97 -14.5 2 5 0 61 349.5 8

Activity (Go SEA)

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

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