UCSF

ZINC42461843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.09 2.85 -82.22 4 4 2 45 259.438 7
Hi High (pH 8-9.5) 1.09 0.72 -38.27 3 4 1 43 258.43 7
Lo Low (pH 4.5-6) 1.09 2.93 -103.04 4 4 2 45 259.438 7

Activity (Go SEA)

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