UCSF

ZINC67974927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 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) -1.49 6.36 -43.64 2 7 0 90 331.372 2
Hi High (pH 8-9.5) -1.49 4.12 -60.07 1 7 -1 89 330.364 2

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

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