UCSF

ZINC15941473

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 16 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) 0.71 6.28 -22.3 1 6 0 73 236.256 2
Hi High (pH 8-9.5) 0.78 4.46 -59.03 0 6 -1 79 235.248 2

Activity (Go SEA)

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

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