UCSF

ZINC16997967

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 11 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) 0.35 3.16 -10.75 1 3 0 46 150.181 2
Hi High (pH 8-9.5) 0.81 2.03 -39.11 0 3 -1 49 149.173 2

Activity (Go SEA)

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

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