UCSF

ZINC67964758

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 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) 1.74 2.36 -16.13 2 5 0 83 316.382 3
Lo Low (pH 4.5-6) 1.74 2.79 -42.03 3 5 1 84 317.39 3

Activity (Go SEA)

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

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