UCSF

ZINC62777901

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 13 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) 0.85 -0.17 -8.98 3 5 0 81 178.195 2
Lo Low (pH 4.5-6) 0.85 -0.25 -29.63 4 5 1 82 179.203 2

Activity (Go SEA)

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

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