UCSF

ZINC19520895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.02 5.49 -18.32 3 8 0 112 283.295 4
Hi High (pH 8-9.5) 1.09 3.69 -110.97 1 8 -2 117 281.279 4
Hi High (pH 8-9.5) 1.02 5.04 -101.5 1 8 -2 109 281.279 4
Hi High (pH 8-9.5) 1.02 5.21 -36.21 2 8 -1 111 282.287 4
Mid Mid (pH 6-8) 1.02 5.34 -49.28 2 8 -1 111 282.287 4

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

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