UCSF

ZINC37324562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.19 6.51 -126.24 4 4 2 51 312.841 3
Hi High (pH 8-9.5) 2.19 6.76 -33.49 3 4 1 49 311.833 3
Hi High (pH 8-9.5) 2.19 4.77 -52.8 3 4 1 49 311.833 3

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

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