UCSF

ZINC01916806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 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) -1.10 -9.78 -12.14 3 9 0 137 275.271 3
Hi High (pH 8-9.5) -1.10 -9.22 -37.03 2 9 -1 139 274.263 3

Activity (Go SEA)

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

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