UCSF

ZINC22763877

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 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) 1.32 3.06 -43.62 0 6 -1 72 285.327 4
Mid Mid (pH 6-8) 0.86 4.92 -10.49 1 6 0 69 286.335 4
Lo Low (pH 4.5-6) 0.86 5.67 -22.57 2 6 0 70 287.343 4

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

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