UCSF

ZINC55551820

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 33 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) 2.89 11.98 -21.53 1 8 0 108 450.491 8
Hi High (pH 8-9.5) 1.43 11.1 -113.41 0 8 -2 120 448.475 6
Hi High (pH 8-9.5) 1.43 11.1 -104.51 0 8 -2 120 448.475 6
Mid Mid (pH 6-8) 2.18 11.08 -56.96 1 8 -1 114 449.483 7

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

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