UCSF

ZINC59029678

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 34 No

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) -1.61 0.83 -53.04 6 11 -1 190 471.49 3
Hi High (pH 8-9.5) -2.34 1.4 -138.99 5 11 -2 193 470.482 2
Hi High (pH 8-9.5) -2.34 0.4 -73.37 6 11 -1 190 471.49 2
Mid Mid (pH 6-8) -1.76 0.28 -16.31 8 11 0 191 472.498 2
Mid Mid (pH 6-8) -1.61 2.96 -68.87 7 11 0 192 472.498 3
Lo Low (pH 4.5-6) -1.76 -0.46 -38.83 9 11 1 192 473.506 2

Activity (Go SEA)

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

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