UCSF

ZINC62532293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 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) 1.63 7.12 -88.27 3 5 2 51 299.459 9
Hi High (pH 8-9.5) 1.63 6.07 -38.6 2 5 1 46 298.451 9
Hi High (pH 8-9.5) 1.63 4.25 -5.95 1 5 0 45 297.443 9
Mid Mid (pH 6-8) 1.63 5.79 -35.57 2 5 1 46 298.451 9

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

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