UCSF

ZINC97977856

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2014 33 No

CAS Number: 25389-94-0

Other Names:

MFCD00070253

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) -5.70 -18.45 -301.08 19 15 4 289 488.535 6
Hi High (pH 8-9.5) -5.70 -19.17 -110.61 17 15 2 286 486.519 6
Hi High (pH 8-9.5) -5.70 -18.89 -118.81 17 15 2 286 486.519 6
Mid Mid (pH 6-8) -5.70 -18.89 -221.32 18 15 3 287 487.527 6

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