UCSF

ZINC59029683

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 2.24 -60.41 6 11 -1 190 471.49 3
Hi High (pH 8-9.5) -2.34 3.4 -130.68 5 11 -2 193 470.482 2
Hi High (pH 8-9.5) -2.34 2.41 -65.46 6 11 -1 190 471.49 2
Mid Mid (pH 6-8) -1.76 -2.51 -18.72 8 11 0 191 472.498 2
Mid Mid (pH 6-8) -1.61 2.64 -60.08 7 11 0 192 472.498 3
Lo Low (pH 4.5-6) -1.76 -0.24 -49.98 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.