UCSF

ZINC19527188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.82 8.92 -39.58 1 3 1 21 328.455 7
Hi High (pH 8-9.5) 2.82 6.56 -5.38 0 3 0 19 327.447 7
Mid Mid (pH 6-8) 2.82 9.22 -32.12 1 3 1 21 328.455 7
Lo Low (pH 4.5-6) 2.82 9.66 -98.84 2 3 2 22 329.463 7

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

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