UCSF

ZINC69722978

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 16 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) 0.45 1.55 -38.31 3 4 1 49 229.344 3
Mid Mid (pH 6-8) 0.45 2.91 -28.21 3 4 1 49 229.344 3
Mid Mid (pH 6-8) 0.45 3.35 -112.02 4 4 2 51 230.352 3

Activity (Go SEA)

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

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