UCSF

ZINC21983574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

CAS Numbers: 3094-09-5 , [3094-09-5]

Other Names:

MFCD00866530

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) -0.67 -2.41 -16.72 3 7 0 105 246.194 1
Hi High (pH 8-9.5) -0.21 -4.22 -51.58 2 7 -1 108 245.186 1

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

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