UCSF

ZINC42517826

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) -0.19 0.03 -45.85 3 4 1 53 224.328 6
Hi High (pH 8-9.5) -0.19 -0.34 -4.44 2 4 0 51 223.32 6
Lo Low (pH 4.5-6) -0.19 2.52 -120.73 4 4 2 54 225.336 6

Activity (Go SEA)

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