UCSF

ZINC13061702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 24 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) 2.74 3.69 -15.79 2 5 0 75 358.341 5
Hi High (pH 8-9.5) 2.74 3.78 -48.06 1 5 -1 77 357.333 5

Activity (Go SEA)

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