UCSF

ZINC67966790

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 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) 0.32 5.21 -91.24 5 5 2 70 265.405 6
Hi High (pH 8-9.5) 0.32 3.05 -47.04 4 5 1 69 264.397 6
Lo Low (pH 4.5-6) 0.32 5.57 -171.52 6 5 3 71 266.413 6

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

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