UCSF

ZINC54931382

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 Yes

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) 1.39 4.41 -108.2 3 2 2 21 156.273 1
Hi High (pH 8-9.5) 1.39 0.67 -1.21 1 2 0 15 154.257 1
Mid Mid (pH 6-8) 1.39 2.71 -30.22 2 2 1 16 155.265 1
Mid Mid (pH 6-8) 1.39 2.37 -36.83 2 2 1 20 155.265 1

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

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