UCSF

ZINC56874884

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 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) -2.62 -3.65 -309.99 11 8 4 136 336.477 6
Hi High (pH 8-9.5) -2.62 -4.67 -37.85 8 8 1 129 333.453 6
Hi High (pH 8-9.5) -2.62 -5.04 -117.21 9 8 2 130 334.461 6
Mid Mid (pH 6-8) -2.62 -4.74 -200.75 10 8 3 132 335.469 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.