UCSF

ZINC69512918

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 2.02 9.44 -33.61 1 5 1 59 282.371 2
Hi High (pH 8-9.5) 2.02 8.88 -13.76 0 5 0 58 281.363 2

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

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