UCSF

ZINC71502840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 21 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) 2.34 10.6 -111.35 2 4 2 27 288.439 5
Hi High (pH 8-9.5) 2.34 6.22 -6.52 0 4 0 24 286.423 5
Mid Mid (pH 6-8) 2.34 8.43 -45.9 1 4 1 26 287.431 5

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

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