UCSF

ZINC19285579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 22 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) 2.23 7.81 -49.32 0 5 -1 87 292.27 2
Mid Mid (pH 6-8) 3.70 7.52 -96.21 0 5 -2 93 291.262 2

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

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