UCSF

ZINC42168494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.94 5.89 -82.75 4 6 2 68 295.431 8
Hi High (pH 8-9.5) 1.94 3.79 -38.79 3 6 1 67 294.423 8

Activity (Go SEA)

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