UCSF

ZINC52687375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 24 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) 2.28 7.34 -14.51 1 7 0 89 360.468 4
Hi High (pH 8-9.5) 2.74 5.03 -46.75 0 7 -1 92 359.46 4

Activity (Go SEA)

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