UCSF

ZINC19726744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 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) 0.88 4.96 -90.81 3 3 2 34 225.361 2
Hi High (pH 8-9.5) 0.88 1.01 -6.54 1 3 0 28 223.345 2
Mid Mid (pH 6-8) 0.88 2.43 -47.01 2 3 1 33 224.353 2

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

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