UCSF

ZINC36335458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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 5.26 -7.85 2 4 0 44 285.322 3
Mid Mid (pH 6-8) 2.61 6.03 -58.46 3 4 0 46 286.33 3

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

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