UCSF

ZINC37212884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) -0.51 2.49 -7.79 1 5 0 45 289.379 4
Mid Mid (pH 6-8) -0.51 3.67 -46.77 2 5 1 49 290.387 4
Lo Low (pH 4.5-6) -0.51 4.75 -41.46 2 5 1 46 290.387 4

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

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