UCSF

ZINC71555567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 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) 2.59 6.29 -66.1 0 8 -1 104 437.519 5
Mid Mid (pH 6-8) 2.59 6.01 -21.6 1 8 0 102 438.527 5

Activity (Go SEA)

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

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