UCSF

ZINC43412172

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.42 8.31 -47.31 3 5 1 71 288.371 5
Hi High (pH 8-9.5) 2.42 7.74 -34.76 2 5 0 70 287.363 5

Activity (Go SEA)

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