UCSF

ZINC42915344

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.94 7.15 -119.92 4 3 2 41 298.446 9
Hi High (pH 8-9.5) 2.94 6.85 -35.8 3 3 1 40 297.438 9
Hi High (pH 8-9.5) 2.94 5.73 -43.39 3 3 1 40 297.438 9

Activity (Go SEA)

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