UCSF

ZINC40234764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 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) 3.86 7.95 -46.5 3 2 1 31 340.31 5
Hi High (pH 8-9.5) 3.86 7.59 -2.3 2 2 0 29 339.302 5

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

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