UCSF

ZINC37867268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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 -3.01 -29.16 6 11 0 202 459.431 2
Hi High (pH 8-9.5) -1.61 -0.49 -119.98 6 11 0 212 458.423 2
Mid Mid (pH 6-8) -2.19 0.11 -57.52 6 11 0 206 459.431 2
Mid Mid (pH 6-8) -1.16 -1.42 -66.71 7 11 0 209 459.431 2
Mid Mid (pH 6-8) -2.92 -1.15 -73.22 7 11 0 203 460.439 1
Mid Mid (pH 6-8) -2.19 -1.05 -73.88 7 11 0 203 460.439 2
Lo Low (pH 4.5-6) -2.92 -1.96 -57.74 8 11 1 200 461.447 1

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

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