UCSF

ZINC16473495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 17 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) 2.16 5.09 -38.77 3 4 1 69 232.307 4
Hi High (pH 8-9.5) 1.98 3.68 -27.98 2 4 0 76 231.299 4

Activity (Go SEA)

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