UCSF

ZINC38585857

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 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) 0.06 6.37 -40.86 3 3 0 68 207.273 6
Hi High (pH 8-9.5) 0.06 6.07 -45.78 2 3 -1 66 206.265 6

Activity (Go SEA)

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