UCSF

ZINC71556392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 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) 3.47 8.65 -51.17 1 6 0 75 403.529 8
Hi High (pH 8-9.5) 3.47 6.13 -55.41 0 6 -1 74 402.521 8
Mid Mid (pH 6-8) 4.40 8.51 -46.13 2 6 1 76 404.537 7

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

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