UCSF

ZINC69220945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.77 11.09 -96.44 2 4 2 29 317.477 5
Hi High (pH 8-9.5) 2.77 8.92 -43.61 1 4 1 28 316.469 5

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

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