UCSF

ZINC35892664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 20 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) -0.18 2.36 -56.92 3 7 1 78 280.352 3
Hi High (pH 8-9.5) -0.18 1.07 -9.85 2 7 0 73 279.344 3
Lo Low (pH 4.5-6) -0.18 4.67 -105.8 4 7 2 79 281.36 3

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

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