UCSF

ZINC67447067

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 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) 0.84 6.79 -47.27 1 7 1 60 329.428 3
Hi High (pH 8-9.5) 0.84 4.88 -12.73 0 7 0 59 328.42 3

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

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