UCSF

ZINC87493297

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 32 Yes

CAS Number: [125238-99-5]

Other Names:

MFCD00151941

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.83 9.75 -40.72 4 8 0 132 440.496 10
Hi High (pH 8-9.5) 2.83 9.45 -50.19 3 8 -1 131 439.488 10
Hi High (pH 8-9.5) 2.16 4.4 -3.32 0 1 0 13 130.574 0

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

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