UCSF

ZINC42908492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 3.03 7.5 -108.41 4 2 2 32 250.43 5
Hi High (pH 8-9.5) 3.03 5.69 -40.39 3 2 1 31 249.422 5
Hi High (pH 8-9.5) 3.03 6.47 -27.92 3 2 1 30 249.422 5

Activity (Go SEA)

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