UCSF

ZINC38339105

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 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) -2.34 3.02 -47.31 7 11 0 192 472.498 2
Hi High (pH 8-9.5) -2.34 2.42 -136.66 5 11 -2 193 470.482 2
Hi High (pH 8-9.5) -2.34 1.43 -68.7 6 11 -1 190 471.49 2
Hi High (pH 8-9.5) -1.61 1.66 -95.31 6 11 0 190 471.49 3
Hi High (pH 8-9.5) -1.61 2.66 -79.33 5 11 0 193 470.482 3
Hi High (pH 8-9.5) -1.61 4.3 -75.4 6 11 0 194 471.49 3
Mid Mid (pH 6-8) -1.61 3.3 -60.03 7 11 0 192 472.498 3
Lo Low (pH 4.5-6) -1.61 0.67 -39.75 8 11 0 189 473.506 3

Activity (Go SEA)

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

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