UCSF

ZINC07417444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 25 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 5.85 -12.76 2 5 0 75 352.415 3
Hi High (pH 8-9.5) 3.55 5.91 -46.75 1 5 -1 77 351.407 3

Activity (Go SEA)

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