UCSF

ZINC42366685

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 3.05 8.67 -40.69 1 2 1 18 236.722 4
Hi High (pH 8-9.5) 3.05 6.34 -5.14 0 2 0 16 235.714 4

Activity (Go SEA)

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