UCSF

ZINC42562029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) -0.77 -0.84 -49.82 5 6 1 92 229.304 3
Hi High (pH 8-9.5) -0.77 -1.95 -12.2 4 6 0 87 228.296 3

Activity (Go SEA)

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