UCSF

ZINC43982381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.55 9.02 -86.48 3 3 2 24 285.52 9
Hi High (pH 8-9.5) 3.55 6.96 -32.08 2 3 1 23 284.512 9

Activity (Go SEA)

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