UCSF

ZINC07305679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 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) 3.73 5.73 -12.86 2 5 0 75 401.315 5
Hi High (pH 8-9.5) 3.73 5.88 -45.72 1 5 -1 77 400.307 5

Activity (Go SEA)

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