UCSF

ZINC42461841

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) 0.59 1.99 -81.15 4 4 2 45 245.411 6
Hi High (pH 8-9.5) 0.59 -0.14 -37.51 3 4 1 43 244.403 6
Lo Low (pH 4.5-6) 0.59 2.15 -101.33 4 4 2 45 245.411 6

Activity (Go SEA)

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