UCSF

ZINC62993130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.38 9.4 -49.27 1 5 0 47 393.507 5
Mid Mid (pH 6-8) 4.38 9.3 -8.45 0 5 0 46 392.499 5
Lo Low (pH 4.5-6) 4.38 12.38 -106.93 2 5 0 48 394.515 5

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

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