UCSF

ZINC62321003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 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) 0.14 7.66 -88.04 2 6 1 77 245.262 2
Hi High (pH 8-9.5) 0.14 6.89 -49.91 0 6 -1 74 243.246 2
Mid Mid (pH 6-8) 0.14 7.35 -66.7 1 6 0 75 244.254 2

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

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