UCSF

ZINC36379787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 33 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) -2.19 0.54 -67.62 7 11 0 203 460.439 2
Hi High (pH 8-9.5) -2.19 -0.08 -29.85 6 11 0 202 459.431 2
Hi High (pH 8-9.5) -2.19 1.54 -86.92 6 11 0 206 459.431 2
Mid Mid (pH 6-8) -2.92 -0 -68.83 6 11 -1 202 459.431 1
Mid Mid (pH 6-8) -2.19 1.6 -86.83 6 11 -1 206 459.431 2
Mid Mid (pH 6-8) -2.92 0.22 -56.5 7 11 0 203 460.439 1
Lo Low (pH 4.5-6) -2.92 -0.55 -60.92 8 11 1 200 461.447 1

Activity (Go SEA)

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

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