UCSF

ZINC71541270

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.35 8.9 -72.53 0 6 -1 78 286.311 3
Mid Mid (pH 6-8) -0.35 9.2 -61.23 1 6 0 79 287.319 3

Activity (Go SEA)

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

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