UCSF

ZINC42463226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.75 5.1 -77.33 3 3 2 24 229.412 6
Hi High (pH 8-9.5) 1.75 2.96 -36.87 2 3 1 23 228.404 6
Hi High (pH 8-9.5) 1.75 5.2 -92.24 3 3 2 24 229.412 6
Lo Low (pH 4.5-6) 1.75 7.39 -178.07 4 3 3 25 230.42 6

Activity (Go SEA)

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