UCSF

ZINC36642250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 2.61 11.08 -37.5 1 7 1 65 388.517 8
Hi High (pH 8-9.5) 2.61 8.93 -11.24 0 7 0 63 387.509 8
Lo Low (pH 4.5-6) 2.61 10.29 -103.79 2 7 2 66 389.525 8

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

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