UCSF

ZINC20765144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 24 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) 4.71 9.66 -16.84 2 5 0 71 450.305 5
Hi High (pH 8-9.5) 4.71 9.5 -45.7 1 5 -1 69 449.297 5

Activity (Go SEA)

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