UCSF

ZINC71692488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2011 44 No

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) 6.07 10.65 -58.23 3 9 1 104 595.672 2
Hi High (pH 8-9.5) 6.07 9.11 -64.86 1 9 -1 105 593.656 2
Mid Mid (pH 6-8) 6.07 8.28 -19.15 2 9 0 103 594.664 2
Lo Low (pH 4.5-6) 6.07 11.96 -105.63 4 9 2 108 596.68 2

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Rings

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

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