UCSF

ZINC39911866

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 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) 5.77 10 -9.34 2 5 0 69 454.368 5
Hi High (pH 8-9.5) 5.54 10.45 -50.59 0 5 -1 68 453.36 5
Hi High (pH 8-9.5) 5.54 10.62 -41.92 0 5 -1 68 453.36 5
Hi High (pH 8-9.5) 5.77 11.07 -42.88 1 5 -1 72 453.36 5

Activity (Go SEA)

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