UCSF

ZINC60175798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) 4.33 9.61 -35.78 2 2 1 26 288.455 5
Hi High (pH 8-9.5) 4.33 8.22 -2.35 1 2 0 21 287.447 5

Activity (Go SEA)

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