UCSF

ZINC69095097

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 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) 1.96 5.99 -35.18 3 4 1 57 241.355 5
Hi High (pH 8-9.5) 1.96 5.08 -3.63 2 4 0 56 240.347 5

Activity (Go SEA)

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

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