UCSF

ZINC61367127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 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) 1.81 7.98 -39.54 3 2 1 33 289.468 2
Hi High (pH 8-9.5) 1.81 7.67 -4.49 2 2 0 31 288.46 2

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

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