UCSF

ZINC09693731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 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) 6.58 15.45 -9.98 0 3 0 33 465.062 5
Lo Low (pH 4.5-6) 6.58 15.69 -36.84 1 3 1 34 466.07 5

Activity (Go SEA)

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