UCSF

ZINC54931767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 Yes

Other Names:

MFCD26793068

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) 1.45 2.69 -46.75 2 2 1 29 187.313 2
Hi High (pH 8-9.5) 1.45 1 -5.86 1 2 0 25 186.305 2

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

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