UCSF

ZINC22767663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) -0.04 3.34 -9.6 1 8 0 81 333.392 4
Mid Mid (pH 6-8) -0.04 5.68 -44.71 2 8 1 83 334.4 4
Lo Low (pH 4.5-6) -0.04 3.75 -44.89 2 8 1 83 334.4 4

Activity (Go SEA)

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

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