UCSF

ZINC27329227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) -0.98 4.45 -99.84 3 8 0 109 363.393 5
Lo Low (pH 4.5-6) -4.45 3.34 -90.96 4 8 1 112 364.401 4
Lo Low (pH 4.5-6) -0.98 6.84 -175.33 4 8 1 110 364.401 5

Activity (Go SEA)

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