UCSF

ZINC61409308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 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) 2.12 8.11 -51.73 2 5 1 60 275.357 6
Hi High (pH 8-9.5) 2.12 6.74 -14.75 1 5 0 55 274.349 6

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

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