UCSF

ZINC52425137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 20 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) 4.16 10.9 -112.91 3 2 2 21 276.468 6
Hi High (pH 8-9.5) 4.16 9.6 -39.27 2 2 1 20 275.46 6

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

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