UCSF

ZINC40555691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 22 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) 2.18 3.62 -12.92 2 6 0 92 295.298 4
Hi High (pH 8-9.5) 2.18 4.39 -46.96 1 6 -1 95 294.29 4

Activity (Go SEA)

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

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