UCSF

ZINC52855020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.48 8.52 -46.36 3 4 1 48 287.431 4
Hi High (pH 8-9.5) 2.48 5.96 -9.42 2 4 0 47 286.423 4
Mid Mid (pH 6-8) 2.48 8.87 -89.85 4 4 2 50 288.439 4

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

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