UCSF

ZINC36642310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 2.98 11.96 -37.37 1 7 1 65 402.544 9
Hi High (pH 8-9.5) 2.98 9.86 -10.95 0 7 0 63 401.536 9
Lo Low (pH 4.5-6) 2.98 11.21 -103.68 2 7 2 66 403.552 9

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

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