UCSF

ZINC13263299

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 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) 3.60 2.59 -55.58 2 10 -1 151 491.523 9
Hi High (pH 8-9.5) 3.60 2.76 -198.12 0 10 -3 155 489.507 9
Hi High (pH 8-9.5) 3.60 2.67 -105.95 1 10 -2 153 490.515 9
Hi High (pH 8-9.5) 3.60 2.68 -125.97 1 10 -2 153 490.515 9

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

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