UCSF

ZINC69737439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 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) 1.50 5.33 -58.89 2 7 1 86 317.398 4
Hi High (pH 8-9.5) 1.50 4.37 -14.28 1 7 0 82 316.39 4

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

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