UCSF

ZINC83426091

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 12 Yes

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) 0.32 -0.02 -54.01 5 3 1 71 165.216 2
Hi High (pH 8-9.5) 0.32 -0.42 -7.55 4 3 0 69 164.208 2

Activity (Go SEA)

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

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