UCSF

ZINC41383858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.77 3.63 -11.48 1 6 0 85 334.445 5
Hi High (pH 8-9.5) 3.23 1.45 -45.88 0 6 -1 88 333.437 5
Hi High (pH 8-9.5) 2.77 3.09 -20.38 1 6 0 85 334.445 5

Activity (Go SEA)

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