UCSF

ZINC42446861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.31 5.86 -92.18 5 4 2 69 234.347 3
Hi High (pH 8-9.5) 1.31 5.87 -33.14 4 4 1 67 233.339 3
Hi High (pH 8-9.5) 1.31 5.51 -35.86 4 4 1 68 233.339 3

Activity (Go SEA)

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