UCSF

ZINC39912391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.80 11.83 -11.33 2 6 0 78 467.569 6
Hi High (pH 8-9.5) 5.57 12.39 -45.57 0 6 -1 77 466.561 6
Hi High (pH 8-9.5) 5.57 12.17 -53.98 0 6 -1 77 466.561 6
Hi High (pH 8-9.5) 5.80 12.95 -39.93 1 6 -1 81 466.561 6

Activity (Go SEA)

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