UCSF

ZINC62810105

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 19 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) 0.58 0.95 -61.4 3 8 1 118 288.305 5
Hi High (pH 8-9.5) 0.58 -0.75 -14.14 2 8 0 113 287.297 5

Activity (Go SEA)

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

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