UCSF

ZINC39911935

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 6.67 11.5 -10.15 2 6 0 78 461.606 9
Hi High (pH 8-9.5) 6.44 11.81 -53.19 0 6 -1 77 460.598 9
Hi High (pH 8-9.5) 6.44 12.1 -54.09 0 6 -1 77 460.598 9
Hi High (pH 8-9.5) 6.67 12.45 -38.87 1 6 -1 81 460.598 9

Activity (Go SEA)

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