UCSF

ZINC43967139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 0.79 5.78 -115.47 3 4 2 39 224.352 4
Hi High (pH 8-9.5) 0.78 2.39 -4.87 1 4 0 33 222.336 4
Hi High (pH 8-9.5) 0.79 4.63 -36.69 2 4 1 34 223.344 4
Mid Mid (pH 6-8) 0.79 3.5 -43.11 2 4 1 38 223.344 4

Activity (Go SEA)

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