UCSF

ZINC43897274

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.63 6.77 -86.89 3 3 2 24 269.477 4
Hi High (pH 8-9.5) 2.63 6.23 -115.26 3 3 2 24 269.477 4
Lo Low (pH 4.5-6) 2.63 8.67 -200.38 4 3 3 25 270.485 4

Activity (Go SEA)

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