UCSF

ZINC19787276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 27 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) 5.26 10.45 -43.41 2 4 1 55 386.899 5
Hi High (pH 8-9.5) 5.26 10.9 -34.88 1 4 0 58 385.891 5

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

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