UCSF

ZINC37843560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.13 5.1 -46.34 2 5 1 60 321.85 9
Hi High (pH 8-9.5) 2.13 2.57 -12.49 1 5 0 59 320.842 9
Hi High (pH 8-9.5) 2.13 5.27 -58.4 1 5 0 62 320.842 9
Hi High (pH 8-9.5) 2.13 2.8 -43.55 0 5 -1 61 319.834 9

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