UCSF

ZINC67447036

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 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) -0.77 3.96 -49.97 3 8 1 92 333.416 3
Mid Mid (pH 6-8) -0.77 1.79 -10.83 2 8 0 90 332.408 3

Activity (Go SEA)

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

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