UCSF

ZINC37213848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.52 9.67 -34.76 2 2 1 20 275.46 8
Mid Mid (pH 6-8) 3.52 10.33 -29.92 2 2 1 16 275.46 8
Lo Low (pH 4.5-6) 3.52 11.44 -114.44 3 2 2 21 276.468 8

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

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