UCSF

ZINC34894294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.59 8.11 -44.6 2 6 1 63 287.343 4
Mid Mid (pH 6-8) 1.59 7.63 -16.78 1 6 0 61 286.335 4

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

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