UCSF

ZINC52450734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 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) 2.15 7.44 -83.82 3 3 2 34 269.458 8
Hi High (pH 8-9.5) 2.15 6.14 -29.29 2 3 1 29 268.45 8
Hi High (pH 8-9.5) 2.15 5.76 -34.43 2 3 1 33 268.45 8
Hi High (pH 8-9.5) 2.15 4.46 -3.31 1 3 0 28 267.442 8

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

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