UCSF

ZINC55071029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.44 5.05 -38.15 2 5 1 46 284.424 8
Hi High (pH 8-9.5) 1.44 3.39 -3.19 1 5 0 45 283.416 8
Mid Mid (pH 6-8) 1.44 6.81 -91.63 3 5 2 51 285.432 8

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

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