UCSF

ZINC66961427

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 18 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) 2.44 3.64 -2.67 0 3 0 16 317.271 4
Mid Mid (pH 6-8) 2.44 5.76 -39.34 1 3 1 17 318.279 4

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

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